Swainston Neil neil.swainston@manchester.ac.uk University of Manchester Smallbone Kieran kieran.smallbone@manchester.ac.uk University of Manchester Hefzi Hooman hhefzi@ucsd.edu University of California, San Diego Dobson Paul paul.dobson@manchester.ac.uk University of Manchester Brewer Judy jbrewer@w3.org Massachusetts Institute of Technology Hanscho Michael michael.hanscho@acib.at Austrian Centre of Industrial Biotechnology 2016-03-15T16:23:54Z 2016-03-15T16:23:54Z CHARGE: -6 FORMULA: C40H45N11O19 CHARGE: -6 FORMULA: C40H45N11O19 CHARGE: -6 FORMULA: C40H45N11O19 CHARGE: -6 FORMULA: C40H45N11O19 CHARGE: -7 FORMULA: C45H51N12O22 CHARGE: -7 FORMULA: C45H51N12O22 CHARGE: -7 FORMULA: C45H51N12O22 CHARGE: -7 FORMULA: C45H51N12O22 CHARGE: -8 FORMULA: C50H57N13O25 CHARGE: -8 FORMULA: C50H57N13O25 CHARGE: -8 FORMULA: C50H57N13O25 CHARGE: -8 FORMULA: C50H57N13O25 CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N(C[C@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N(C[C@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N(C[C@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N(C[C@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO CHARGE: 0 FORMULA: C21H30O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO CHARGE: 0 FORMULA: C21H30O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 CHARGE: 0 FORMULA: C3H8O2 SMILES: C[C@@H](O)CO CHARGE: 0 FORMULA: C3H8O2 SMILES: C[C@H](O)CO CHARGE: -3 FORMULA: C20H25O3 CHARGE: -3 FORMULA: C20H25O3 CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O CHARGE: 0 FORMULA: C26H36O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C26H36O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C26H36O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 2 FORMULA: C3H12N2 SMILES: [NH3+]CCC[NH3+] CHARGE: -4 FORMULA: C3H4O10P2 SMILES: O[C@H](COP([O-])([O-])=O)C(=O)OP([O-])([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: 0 FORMULA: C21H32O3 SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C21H32O3 SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C21H32O3 SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C21H32O3 SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C21H32O3 SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C21H30O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O CHARGE: 0 FORMULA: C21H30O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O CHARGE: 0 FORMULA: C21H30O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O CHARGE: -1 FORMULA: C20H31O3 CHARGE: 0 FORMULA: C28H44O4 CHARGE: 0 FORMULA: C27H44O4 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)(C)O CHARGE: 0 FORMULA: C28H44O3 CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C6H13O7P NON_SPECIFIC_FORMULA: C4H8O7PR SMILES: O[C@H](COC([*])=O)COP(O)(O)=O CHARGE: 1 FORMULA: C7H9N2O SMILES: C[n+]1cccc(c1)C(N)=O CHARGE: 1 FORMULA: C7H9N2O SMILES: C[n+]1cccc(c1)C(N)=O CHARGE: 1 FORMULA: C5H10N SMILES: C[N+]1=CCCC1 CHARGE: -1 FORMULA: C5H6NO2 SMILES: [O-]C(=O)C1=NCCC1 CHARGE: -1 FORMULA: C5H6NO3 SMILES: [H][C@]1(C[C@@H](O)C=N1)C(O)=O CHARGE: -1 FORMULA: C5H6NO3 SMILES: [H][C@]1(C[C@@H](O)C=N1)C(O)=O CHARGE: 0 FORMULA: C6H9NO2 SMILES: [O-]C(=O)C1=NCCCC1 CHARGE: -1 FORMULA: C5H6NO2 SMILES: [O-]C(=O)C1CCC=N1 CHARGE: -1 FORMULA: C5H6NO2 SMILES: [O-]C(=O)C1CCC=N1 CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)CCCC(C)C CHARGE: -1 FORMULA: C9H10N2O8P SMILES: OC[C@H]1O[C@H]([C@@H]2OP([O-])(=O)O[C@H]12)n1ccc(=O)[nH]c1=O CHARGE: -1 FORMULA: C9H10N2O8P SMILES: OC[C@H]1O[C@H]([C@@H]2OP([O-])(=O)O[C@H]12)n1ccc(=O)[nH]c1=O CHARGE: -1 FORMULA: C6H7O7 SMILES: OC[C@H](O)[C@@H](O)C(=O)C(=O)C([O-])=O CHARGE: -5 FORMULA: C3H3O10P2 SMILES: [O-]C(=O)[C@@H](COP([O-])([O-])=O)OP([O-])([O-])=O CHARGE: 0 FORMULA: C28H44O3 CHARGE: 0 FORMULA: C28H44O3 CHARGE: 0 FORMULA: C28H44O3 CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O CHARGE: 0 FORMULA: C6H5NO4 SMILES: C1(=CC=C(C=C1O)[N+]([O-])=O)[O-] CHARGE: 0 FORMULA: C6H5NO4 SMILES: C1(=CC=C(C=C1O)[N+]([O-])=O)[O-] CHARGE: -4 FORMULA: C13H15N4O12P SMILES: Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C28H44O2 CHARGE: 0 FORMULA: C28H44O2 CHARGE: 0 FORMULA: C28H44O2 CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C3H5NO2 SMILES: NC(=C)C(O)=O CHARGE: -1 FORMULA: C2H7NO3P SMILES: NCCP(O)(O)=O CHARGE: 0 FORMULA: C4H7NO3 SMILES: CC(=O)[C@H](N)C(O)=O CHARGE: -1 FORMULA: C9H8NO4 SMILES: OC(=O)[C@@H]1Cc2cc(O)c(O)cc2N1 CHARGE: -1 FORMULA: C9H7O3 SMILES: Oc1ccccc1\C=C/C([O-])=O CHARGE: 0 FORMULA: C33H54N7O17P3S CHARGE: 0 FORMULA: C33H54N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C43H62N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C33H48N7O17P3S CHARGE: -4 FORMULA: C33H48N7O17P3S CHARGE: 0 FORMULA: C57H88O2 SMILES: COc1cccc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O CHARGE: 0 FORMULA: C57H86O3 SMILES: COC1=CC(=O)C=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O CHARGE: 0 FORMULA: C58H88O3 SMILES: COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O CHARGE: 0 FORMULA: C58H88O4 SMILES: COC1=C(O)C(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O CHARGE: -2 FORMULA: C5H9O7P SMILES: OC[C@H]1OC(C[C@@H]1O)OP([O-])([O-])=O CHARGE: -2 FORMULA: C5H9O7P SMILES: O[C@H](COP([O-])([O-])=O)[C@@H](O)CC=O CHARGE: -1 FORMULA: C4H7O3 SMILES: CCC(O)C(O)=O CHARGE: -1 FORMULA: C4H7O3 SMILES: CCC(O)C(O)=O CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -1 FORMULA: C8H7O3 SMILES: OC(=O)Cc1ccccc1O CHARGE: -1 FORMULA: C5H7O3S SMILES: CSCCC(=O)C([O-])=O CHARGE: -4 FORMULA: C26H38N7O18P3S SMILES: CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C26H38N7O17P3S SMILES: C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C26H38N7O17P3S SMILES: C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C26H40N7O17P3S SMILES: CCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -3 FORMULA: C7H5O6 SMILES: C\C(C([O-])=O)=C(/CC([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C7H7O7 SMILES: CC(C([O-])=O)C(O)(CC([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C7H7O7 SMILES: CC(C([O-])=O)C(O)(CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(C=O)C([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(C=O)C([O-])=O CHARGE: -4 FORMULA: C25H36N7O17P3S SMILES: CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C12H23NO2S2 SMILES: CC(C)C(=O)SCCC(S)CCCCC(N)=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CCC(=O)C([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CCC(=O)C([O-])=O CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H56N7O17P3S CHARGE: -2 FORMULA: C6H6O5 SMILES: [O-]C(=O)CCCC(=O)C([O-])=O CHARGE: -2 FORMULA: C6H6O5 SMILES: [O-]C(=O)CCCC(=O)C([O-])=O CHARGE: -3 FORMULA: C3H4O7P SMILES: OC[C@@H](OP([O-])([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C2H2O6P SMILES: [O-]C(=O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C9H7O4 SMILES: Oc1ccc(\C=C\C([O-])=O)cc1O CHARGE: 0 FORMULA: C8H8O4 SMILES: [H]C(=O)C(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H8O4 SMILES: [H]C(=O)C(O)c1ccc(O)c(O)c1 CHARGE: -1 FORMULA: C8H7O5 SMILES: OC(C(O)=O)c1ccc(O)c(O)c1 CHARGE: -1 FORMULA: C8H7O5 SMILES: OC(C(O)=O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H10O4 SMILES: OCC(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H10O4 SMILES: OCC(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H8O3 SMILES: [H]C(=O)Cc1ccc(O)c(O)c1 CHARGE: -1 FORMULA: C8H7O4 SMILES: Oc1ccc(CC([O-])=O)cc1O CHARGE: 0 FORMULA: C9H11NO4 SMILES: N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O CHARGE: 0 FORMULA: C9H11NO4 SMILES: N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O CHARGE: -1 FORMULA: C9H9O4 SMILES: OC(Cc1ccc(O)cc1)C([O-])=O CHARGE: -1 FORMULA: C9H7O4 SMILES: Oc1ccc(CC(=O)C([O-])=O)cc1 CHARGE: -1 FORMULA: C9H7O4 SMILES: Oc1ccc(CC(=O)C([O-])=O)cc1 CHARGE: -1 FORMULA: C9H7O4 SMILES: Oc1ccc(CC(=O)C([O-])=O)cc1 CHARGE: -1 FORMULA: C10H11N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: -1 FORMULA: C10H11N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: -1 FORMULA: C10H11N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: -1 FORMULA: C10H11N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: 0 FORMULA: C9H9I2NO3 SMILES: N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@H](CN)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@H](CN)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@H](CN)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@@H](CN)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@@H](CN)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@@H](CN)C(O)=O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: 0 FORMULA: C11H21NO5 CHARGE: 0 FORMULA: C11H21NO5 CHARGE: 0 FORMULA: C19H37NO5 CHARGE: 0 FORMULA: C19H37NO5 CHARGE: -4 FORMULA: C33H50N7O17P3S SMILES: CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C17H33NO5 CHARGE: 0 FORMULA: C17H33NO5 CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -1 FORMULA: C6H9O7 SMILES: OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C([O-])=O CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C33H48N7O17P3S CHARGE: -4 FORMULA: C33H48N7O17P3S CHARGE: -1 FORMULA: C57H85O4 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O CHARGE: -1 FORMULA: C58H87O4 SMILES: COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O CHARGE: -1 FORMULA: C57H85O3 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O CHARGE: 1 FORMULA: C18H38NO2 SMILES: CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO CHARGE: -4 FORMULA: C31H48N7O18P3S CHARGE: -4 FORMULA: C31H48N7O18P3S CHARGE: 0 FORMULA: C7H7NO3 SMILES: Nc1c(O)cccc1C([O-])=O CHARGE: -4 FORMULA: C25H38N7O18P3S SMILES: C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H38N7O18P3S SMILES: C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H38N7O18P3S SMILES: C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H38N7O18P3S SMILES: C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H50N7O18P3S SMILES: CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H50N7O18P3S SMILES: CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H54N7O18P3S SMILES: CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H54N7O18P3S SMILES: CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O18P3S CHARGE: -4 FORMULA: C37H60N7O18P3S CHARGE: 0 FORMULA: C23H43NO5 CHARGE: 0 FORMULA: C23H43NO5 CHARGE: -4 FORMULA: C37H62N7O18P3S SMILES: CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H62N7O18P3S SMILES: CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C23H45NO5 CHARGE: 0 FORMULA: C23H45NO5 CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C25H38N7O18P3S SMILES: CC(CO)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C26H40N7O18P3S SMILES: C[C@H](O)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C4H7O3 SMILES: CC(CO)C([O-])=O CHARGE: -4 FORMULA: C39H66N7O18P3S CHARGE: -4 FORMULA: C39H66N7O18P3S CHARGE: -4 FORMULA: C24H36N7O18P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO CHARGE: -4 FORMULA: C24H36N7O18P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO CHARGE: -4 FORMULA: C24H36N7O18P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO CHARGE: -1 FORMULA: C3H5O3 SMILES: OCCC([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: OCCC([O-])=O CHARGE: -4 FORMULA: C35H58N7O18P3S SMILES: CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H58N7O18P3S SMILES: CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C9H20N2O3 SMILES: C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C9H20N2O3 SMILES: C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O CHARGE: 1 FORMULA: C9H13N2O2 CHARGE: 0 FORMULA: C9H10INO3 SMILES: N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C26H44N7O18P3S SMILES: CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C26H44N7O18P3S SMILES: CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C12H23NO5 CHARGE: 0 FORMULA: C12H23NO5 CHARGE: 0 FORMULA: C9H10O4 CHARGE: 0 FORMULA: C9H10O4 CHARGE: -4 FORMULA: C26H38N7O17P3S SMILES: CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C27H37N7O19P3S SMILES: C\C(CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)=C/C([O-])=O CHARGE: -1 FORMULA: C6H7N2O2 SMILES: Cn1cnc(CC(O)=O)c1 CHARGE: -1 FORMULA: C6H7N2O2 SMILES: Cn1cnc(CC(O)=O)c1 CHARGE: 0 FORMULA: C6H8N2O SMILES: Cn1cnc(CC=O)c1 CHARGE: -1 FORMULA: C5H7O3 SMILES: CC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C5H7O3 SMILES: CC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C5H7O3 SMILES: CC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CCC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CCC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CCC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C9H9O5 SMILES: COc1cc(ccc1O)C(O)C([O-])=O CHARGE: -1 FORMULA: C9H9O5 SMILES: COc1cc(ccc1O)C(O)C([O-])=O CHARGE: 0 FORMULA: C9H10O3 SMILES: [H]C(=O)Cc1ccc(O)c(OC)c1 CHARGE: 0 FORMULA: C9H10O3 SMILES: [H]C(=O)Cc1ccc(O)c(OC)c1 CHARGE: 1 FORMULA: C9H14NO2 CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: 0 FORMULA: C25H45NO5 CHARGE: 0 FORMULA: C25H45NO5 CHARGE: 0 FORMULA: C25H49NO5 CHARGE: 0 FORMULA: C25H49NO5 CHARGE: -4 FORMULA: C39H64N7O18P3S CHARGE: -4 FORMULA: C39H64N7O18P3S CHARGE: 0 FORMULA: C25H47NO5 CHARGE: 0 FORMULA: C25H47NO5 CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H56N7O17P3S CHARGE: -4 FORMULA: C31H48N7O18P3S SMILES: CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H48N7O18P3S SMILES: CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O18P3S SMILES: CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O18P3S SMILES: CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O18P3S SMILES: CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O18P3S SMILES: CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O18P3S SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O18P3S SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O18P3S SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O18P3S SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C47H80N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O18P3S SMILES: CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O18P3S SMILES: CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C10H11N5O13P2Se CHARGE: -3 FORMULA: C3H4O7P SMILES: O[C@H](COP([O-])([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C3H4O7P SMILES: O[C@H](COP([O-])([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C3H2O7P SMILES: [O-]C(=O)C(=O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H5NO4S SMILES: [NH3+][C@@H](CS([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C3H5NO4S SMILES: [NH3+][C@@H](CS([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C3H2O5S SMILES: OC(=O)C(=O)CS(O)=O CHARGE: -2 FORMULA: C3H2O5S SMILES: OC(=O)C(=O)CS(O)=O CHARGE: -2 FORMULA: C3H2O6S SMILES: [O-]C(=O)C(=O)CS([O-])(=O)=O CHARGE: -2 FORMULA: C3H2O6S SMILES: [O-]C(=O)C(=O)CS([O-])(=O)=O CHARGE: 0 FORMULA: C21H41NO5 CHARGE: 0 FORMULA: C21H41NO5 CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: 0 FORMULA: C21H39NO5 CHARGE: 0 FORMULA: C21H39NO5 CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: 0 FORMULA: C23H41NO5 CHARGE: 0 FORMULA: C23H41NO5 CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: 0 FORMULA: C21H37NO5 CHARGE: 0 FORMULA: C21H37NO5 CHARGE: -1 FORMULA: C5H9N2O3 SMILES: CC(CNC(N)=O)C(O)=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -1 FORMULA: C10H8NO5 CHARGE: 0 FORMULA: C29H46O SMILES: [H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C29H46O SMILES: [H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C29H48O SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C9H7NO2 SMILES: Oc1ccc2nccc(O)c2c1 CHARGE: 0 FORMULA: C9H7NO2 SMILES: Oc1ccnc2c(O)cccc12 CHARGE: -1 FORMULA: C6H10NO3 SMILES: CC(=O)NCCCC([O-])=O CHARGE: -1 FORMULA: C6H10NO3 SMILES: CC(=O)NCCCC([O-])=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: NCCCC(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: NCCCC(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: NCCCC(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: NCCCC(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: NCCCC(O)=O CHARGE: 1 FORMULA: C4H10NO SMILES: [H]C(=O)CCC[NH3+] CHARGE: 1 FORMULA: C4H10NO SMILES: [H]C(=O)CCC[NH3+] CHARGE: 1 FORMULA: C4H10NO SMILES: [H]C(=O)CCC[NH3+] CHARGE: -1 FORMULA: C10H8NO4 SMILES: Nc1ccccc1C(=O)CC(=O)C([O-])=O CHARGE: -2 FORMULA: C8H6O6 SMILES: [O-]C(=O)CC(=O)CC(=O)\C=C\C([O-])=O CHARGE: -2 FORMULA: C5H4O6 SMILES: OC(CC(=O)C([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C5H4O6 SMILES: OC(CC(=O)C([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C7H5O3 SMILES: Oc1ccc(cc1)C([O-])=O CHARGE: -4 FORMULA: C28H36N7O18P3S CHARGE: 1 FORMULA: C10H14N3O SMILES: NC(=N)N1CC(O)c2ccccc2C1 CHARGE: 1 FORMULA: C10H14N3O SMILES: NC(=N)N1CC(O)c2ccccc2C1 CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: 0 FORMULA: C5H9NO4 SMILES: N[C@@H](C[C@@H](O)C=O)C(O)=O CHARGE: 0 FORMULA: C8H8O2 SMILES: [H]C(=O)Cc1ccc(O)cc1 CHARGE: -1 FORMULA: C8H7O3 SMILES: Oc1ccc(CC([O-])=O)cc1 CHARGE: -1 FORMULA: C8H7O3 SMILES: Oc1ccc(CC([O-])=O)cc1 CHARGE: 0 FORMULA: C5H9NO3 SMILES: O[C@H]1CN[C@@H](C1)C(O)=O CHARGE: 0 FORMULA: C5H9NO3 SMILES: O[C@H]1CN[C@@H](C1)C(O)=O CHARGE: 0 FORMULA: C5H9NO3 SMILES: O[C@H]1CN[C@@H](C1)C(O)=O CHARGE: 0 FORMULA: C5H9NO3 SMILES: O[C@H]1CN[C@@H](C1)C(O)=O CHARGE: -1 FORMULA: C6H7N2O3 SMILES: [O-]C(=O)CC[c-]1[nH]cnc1=O CHARGE: -2 FORMULA: C8H6O6 SMILES: [O-]C(=O)CC(=O)CC(=O)\C=C/C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CC(C)CC(=O)C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CC(C)CC(=O)C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CC(C)CC(=O)C([O-])=O CHARGE: 0 FORMULA: C6H12O SMILES: C(C(C)C)CC=O CHARGE: 0 FORMULA: C6H12O SMILES: C(C(C)C)CC=O CHARGE: 0 FORMULA: C6H12O SMILES: C(C(C)C)CC=O CHARGE: 0 FORMULA: C6H12O SMILES: C(C(C)C)CC=O CHARGE: 0 FORMULA: C12H18N2O4S SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1 CHARGE: 0 FORMULA: C12H18N2O4S SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1 CHARGE: 0 FORMULA: C29H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C28H44O SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C CHARGE: 0 FORMULA: C6H5NO3 SMILES: [O-]c1ccc(cc1)[N+]([O-])=O CHARGE: 0 FORMULA: C6H5NO3 SMILES: [O-]c1ccc(cc1)[N+]([O-])=O CHARGE: -1 FORMULA: C6H4NO6S SMILES: OS(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O CHARGE: -1 FORMULA: C6H4NO6S SMILES: OS(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O CHARGE: -3 FORMULA: C9H15NO8P SMILES: CC(C)(COP([O-])([O-])=O)[C@@H](O)C(=O)NCCC([O-])=O CHARGE: -3 FORMULA: C9H15NO8P SMILES: CC(C)(COP([O-])([O-])=O)[C@@H](O)C(=O)NCCC([O-])=O CHARGE: -3 FORMULA: C12H20N2O9PS SMILES: CC(C)(COP([O-])([O-])=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C([O-])=O CHARGE: -3 FORMULA: C12H20N2O9PS SMILES: CC(C)(COP([O-])([O-])=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C([O-])=O CHARGE: 0 FORMULA: C8H9NO4 SMILES: Cc1ncc(CO)c(C([O-])=O)c1O CHARGE: 0 FORMULA: C8H9NO4 SMILES: Cc1ncc(CO)c(C([O-])=O)c1O CHARGE: 1 FORMULA: C7H16NO SMILES: [H]C(=O)CCC[N+](C)(C)C CHARGE: 1 FORMULA: C7H16NO SMILES: [H]C(=O)CCC[N+](C)(C)C CHARGE: 0 FORMULA: C7H15NO2 SMILES: C[N+](C)(C)CCCC([O-])=O CHARGE: -1 FORMULA: C9H6NO4 SMILES: Oc1cc2cc([nH]c2cc1O)C([O-])=O CHARGE: 0 FORMULA: C5H8N2O2 SMILES: CC1CNC(=O)NC1=O CHARGE: 0 FORMULA: C5H8N2O2 SMILES: CC1CNC(=O)NC1=O CHARGE: 0 FORMULA: C4H6N2O2 SMILES: O=C1CCNC(=O)N1 CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC([O-])=O)OO CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC([O-])=O)OO CHARGE: 0 FORMULA: C5H9NO3 SMILES: NCCCC(=O)C(O)=O CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C25H38O8 CHARGE: 0 FORMULA: C25H38O8 CHARGE: 0 FORMULA: C25H38O8 CHARGE: -1 FORMULA: C19H29O5S CHARGE: -1 FORMULA: C19H29O5S CHARGE: -1 FORMULA: C19H29O5S CHARGE: -1 FORMULA: C19H29O5S CHARGE: 0 FORMULA: C5H9NO3 SMILES: NCC(=O)CCC(O)=O CHARGE: 0 FORMULA: C5H9NO3 SMILES: NCC(=O)CCC(O)=O CHARGE: -6 FORMULA: C39H43N11O18 CHARGE: -6 FORMULA: C39H43N11O18 CHARGE: -6 FORMULA: C39H43N11O18 CHARGE: -6 FORMULA: C39H43N11O18 CHARGE: -4 FORMULA: C6H10O10P2 SMILES: C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O CHARGE: -4 FORMULA: C6H10O10P2 SMILES: C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O CHARGE: -2 FORMULA: C20H22N8O6 SMILES: [H]C(=N)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: 0 FORMULA: C6H11N3O3 SMILES: NC(=N)NCCCC(=O)C(O)=O CHARGE: 0 FORMULA: C17H19N3O4S CHARGE: 0 FORMULA: C17H19N3O4S CHARGE: 0 FORMULA: C10H9NO2 SMILES: Oc1ccc2[nH]cc(CC=O)c2c1 CHARGE: 0 FORMULA: C10H9NO2 SMILES: Oc1ccc2[nH]cc(CC=O)c2c1 CHARGE: -1 FORMULA: C10H8NO3 SMILES: OC(=O)Cc1c[nH]c2ccc(O)cc12 CHARGE: -1 FORMULA: C10H8NO3 SMILES: OC(=O)Cc1c[nH]c2ccc(O)cc12 CHARGE: 0 FORMULA: C11H12N2O5 SMILES: [H]C(=O)Nc1ccc(O)cc1C(=O)CC(N)C(O)=O CHARGE: 0 FORMULA: C11H12N2O3 SMILES: N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O CHARGE: 0 FORMULA: C11H12N2O3 SMILES: N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O CHARGE: 0 FORMULA: C10H12N2O4 SMILES: NC(CC(=O)c1cc(O)ccc1N)C(O)=O CHARGE: 1 FORMULA: C9H13N2O2 SMILES: NCCC(=O)c1cc(O)ccc1N CHARGE: -2 FORMULA: C6H11O7PS SMILES: CSC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O CHARGE: -2 FORMULA: C6H11O7PS SMILES: CSC[C@@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O CHARGE: 0 FORMULA: C11H11NO3 CHARGE: 0 FORMULA: C11H15N5O3S SMILES: CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C11H15N5O3S SMILES: CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C20H24N7O6 SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -1 FORMULA: C20H24N7O6 SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -1 FORMULA: C20H24N7O6 SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -1 FORMULA: C20H24N7O6 SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -1 FORMULA: C5H6NO3 SMILES: [O-]C(=O)C1CCC(=O)N1 CHARGE: -1 FORMULA: C5H6NO3 SMILES: [O-]C(=O)C1CCC(=O)N1 CHARGE: -3 FORMULA: C6H10O7P SMILES: C[C@@](O)(CCOP([O-])([O-])=O)CC([O-])=O CHARGE: -3 FORMULA: C6H10O7P SMILES: C[C@@](O)(CCOP([O-])([O-])=O)CC([O-])=O CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -6 FORMULA: C39H45N11O18 CHARGE: -6 FORMULA: C39H45N11O18 CHARGE: -6 FORMULA: C39H45N11O18 CHARGE: -6 FORMULA: C39H45N11O18 CHARGE: 0 FORMULA: C6H11NO3 SMILES: NCCCCC(=O)C(O)=O CHARGE: -7 FORMULA: C44H49N12O21 CHARGE: -7 FORMULA: C44H49N12O21 CHARGE: -7 FORMULA: C44H49N12O21 CHARGE: -7 FORMULA: C44H49N12O21 CHARGE: 0 FORMULA: C13H16N2O3 CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12C[C@@H](O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12C[C@@H](O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12C[C@@H](O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: -3 FORMULA: C6H10O10P SMILES: O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -3 FORMULA: C6H10O10P SMILES: O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -2 FORMULA: C6H9O9P SMILES: O[C@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)OC(=O)[C@@H]1O CHARGE: -2 FORMULA: C6H9O9P SMILES: O[C@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)OC(=O)[C@@H]1O CHARGE: 0 FORMULA: C9H11N5O3 SMILES: CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1 CHARGE: 0 FORMULA: C9H11N5O3 SMILES: CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1 CHARGE: -7 FORMULA: C44H51N12O21 CHARGE: -7 FORMULA: C44H51N12O21 CHARGE: -7 FORMULA: C44H51N12O21 CHARGE: -7 FORMULA: C44H51N12O21 CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C CHARGE: -8 FORMULA: C49H55N13O24 CHARGE: -8 FORMULA: C49H55N13O24 CHARGE: -8 FORMULA: C49H55N13O24 CHARGE: -8 FORMULA: C49H55N13O24 CHARGE: -8 FORMULA: C49H57N13O24 CHARGE: -8 FORMULA: C49H57N13O24 CHARGE: -8 FORMULA: C49H57N13O24 CHARGE: -8 FORMULA: C49H57N13O24 CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: HSR CHARGE: 0 FORMULA: HSR CHARGE: 0 FORMULA: C4H6N2O2 CHARGE: 0 FORMULA: C4H6N2O2 CHARGE: -1 FORMULA: C6H6O6 SMILES: [H][C@@]1(OC(=O)C([O-])=C1[O])[C@@H](O)CO CHARGE: 0 FORMULA: C38H76NO8P NON_SPECIFIC_FORMULA: C8H14NO8PR2 SMILES: CNCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C38H76NO8P NON_SPECIFIC_FORMULA: C8H14NO8PR2 SMILES: CNCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C38H76NO8P NON_SPECIFIC_FORMULA: C23H45NO8PR SMILES: CNCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -2 FORMULA: C5H8O7PR SMILES: CC(=O)O[C@H](CO[*])COP([O-])([O-])=O CHARGE: 0 FORMULA: C6H14O6 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO CHARGE: -1 FORMULA: C9H17O2 SMILES: CCCCCCCCC([O-])=O CHARGE: 1 FORMULA: C24H48NO7 SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CHARGE: 1 FORMULA: C24H48NO7 SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CHARGE: 1 FORMULA: C24H48NO7 SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CHARGE: 1 FORMULA: C78H122N21O20 SMILES: CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(O)=O CHARGE: 1 FORMULA: C78H122N21O20 SMILES: CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(O)=O CHARGE: -1 FORMULA: C8H15O2S2 SMILES: [O-]C(=O)CCCCC(S)CCS CHARGE: 0 FORMULA: C4H9NO2 SMILES: CC[C@H](N)C(O)=O CHARGE: 1 FORMULA: C9H14NO SMILES: C[NH2+]CCc1ccc(O)cc1 CHARGE: -1 FORMULA: C10H6NO4 CHARGE: -1 FORMULA: C10H6NO4 CHARGE: -1 FORMULA: C10H6NO4 CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C26H44NO5S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C7H12NO3S SMILES: CSCC[C@H](NC(C)=O)C(O)=O CHARGE: -1 FORMULA: C7H12NO3S SMILES: CSCC[C@H](NC(C)=O)C(O)=O CHARGE: 0 FORMULA: C24H47NO10S SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](O)[C@H](O)[C@H]1O CHARGE: 0 FORMULA: C24H47NO10S SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](O)[C@H](O)[C@H]1O CHARGE: 0 FORMULA: C46H87NO16S NON_SPECIFIC_FORMULA: C31H56NO16SR CHARGE: 0 FORMULA: C46H87NO16S NON_SPECIFIC_FORMULA: C31H56NO16SR CHARGE: 2 FORMULA: C14H32N4O2 SMILES: CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O CHARGE: 2 FORMULA: C14H32N4O2 SMILES: CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O CHARGE: -1 FORMULA: C23H36NO6S SMILES: [NH3+][C@@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCCO)[C@@H](O)CCCC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: -4 FORMULA: C6H10O12P2 CHARGE: 0 FORMULA: C5H9O4R SMILES: CC(=O)O[C@@H](CO)CO[*] CHARGE: 0 FORMULA: C16H22N6O4 SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 CHARGE: -2 FORMULA: C3H6O6PR SMILES: O[C@H](CO[*])COP([O-])([O-])=O CHARGE: -1 FORMULA: C24H39O3 SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C24H39O3 SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C39H78NO8P NON_SPECIFIC_FORMULA: C9H16NO8PR2 SMILES: CN(C)CCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C39H78NO8P NON_SPECIFIC_FORMULA: C9H16NO8PR2 SMILES: CN(C)CCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C39H78NO8P NON_SPECIFIC_FORMULA: C24H47NO8PR SMILES: CN(C)CCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H31O4 SMILES: CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC\C=C/C[C@@H](O)C(O)\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC\C=C/C[C@@H](O)C(O)\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC\C=C/C[C@@H](O)C(O)\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: 0 FORMULA: C30H52O SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C33H54N7O17P3S SMILES: CCCCC\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C33H54N7O17P3S SMILES: CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C33H54N7O17P3S SMILES: CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C19H26O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H26O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H26O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C18H22O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21 CHARGE: 0 FORMULA: C18H22O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21 CHARGE: 0 FORMULA: C18H22O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21 CHARGE: 0 FORMULA: C19H24O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(OC)cc21 CHARGE: 0 FORMULA: C19H24O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(OC)cc21 CHARGE: 0 FORMULA: C18H22O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H22O3 SMILES: [H][C@]12CC[C@]3(C)C(=O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H24O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21 CHARGE: 0 FORMULA: C18H24O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21 CHARGE: -1 FORMULA: C26H44NO6S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H44NO6S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C5H11NO3Se CHARGE: 0 FORMULA: C5H11NO3Se CHARGE: 0 FORMULA: C20H30O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C20H30O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O CHARGE: 1 FORMULA: C10H16NO SMILES: CN(C)CCc1ccc(O)cc1 CHARGE: 1 FORMULA: C10H16NO SMILES: CN(C)CCc1ccc(O)cc1 CHARGE: 1 FORMULA: C10H16NO SMILES: CN(C)CCc1ccc(O)cc1 CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O CHARGE: 1 FORMULA: C16H18NO4 SMILES: Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O CHARGE: 0 FORMULA: C20H30O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C16ClH13N2O SMILES: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12 CHARGE: 0 FORMULA: C16ClH13N2O SMILES: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12 CHARGE: -4 FORMULA: C40H66N7O18P3S SMILES: CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C15ClH11N2O SMILES: Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 CHARGE: 0 FORMULA: C15ClH11N2O SMILES: Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 CHARGE: 0 FORMULA: C20H12 SMILES: c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 CHARGE: 0 FORMULA: C20H12 SMILES: c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 CHARGE: -2 FORMULA: C9H14O4 SMILES: OC(=O)CCCCCCCC(O)=O CHARGE: -1 FORMULA: C4H7O2S SMILES: CSCCC([O-])=O CHARGE: -1 FORMULA: C22H43O2 SMILES: CCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C22H43O2 SMILES: CCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C12H10N2 SMILES: Cc1nccc2c3ccccc3[nH]c12 CHARGE: 1 FORMULA: C11H16NO2 CHARGE: 1 FORMULA: C10H14NO2 CHARGE: -1 FORMULA: C6H4NO2 SMILES: OC(=O)c1ccccn1 CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: 0 FORMULA: C22H37NO2 SMILES: C(CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O CHARGE: 0 FORMULA: C5H4N4O4 SMILES: OC12NC(=O)NC1=NC(=O)NC2=O CHARGE: 0 FORMULA: C23H38O4 SMILES: [H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CHARGE: 0 FORMULA: C23H38O4 SMILES: [H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CHARGE: 0 FORMULA: C23H38O4 SMILES: [H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/CC1OC1CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/C\C=C/CC1OC1CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O3 SMILES: CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C18H31O3 CHARGE: -1 FORMULA: C18H31O3 CHARGE: -1 FORMULA: C18H31O3 SMILES: CCCCCC1OC1C\C=C/CCCCCCCC(O)=O CHARGE: -1 FORMULA: C18H31O3 SMILES: CCCCCC1OC1C\C=C/CCCCCCCC(O)=O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C4H2N2O4 CHARGE: 0 FORMULA: C4H2N2O4 CHARGE: 0 FORMULA: C4H2N2O4 CHARGE: 0 FORMULA: C27H48O3 CHARGE: 0 FORMULA: C27H48O3 CHARGE: -1 FORMULA: C20H31O3 CHARGE: -1 FORMULA: C20H31O3 CHARGE: -1 FORMULA: C20H31O3 CHARGE: -1 FORMULA: C8H13N2O5 CHARGE: -4 FORMULA: C33H50N7O18P3S CHARGE: -4 FORMULA: C33H50N7O18P3S CHARGE: -4 FORMULA: C33H50N7O18P3S CHARGE: -4 FORMULA: C33H50N7O18P3S CHARGE: -4 FORMULA: C33H50N7O18P3S CHARGE: -4 FORMULA: C33H50N7O18P3S CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C39H60N7O18P3S CHARGE: -4 FORMULA: C39H60N7O18P3S CHARGE: -4 FORMULA: C39H60N7O18P3S CHARGE: -1 FORMULA: C3H3O2 SMILES: O=CCC=O CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -1 FORMULA: C20H33O6 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O CHARGE: 1 FORMULA: C11H24N3O2 CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: 0 FORMULA: C20H28O CHARGE: -1 FORMULA: C17H27O3 SMILES: CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C12H16N2O6S CHARGE: 0 FORMULA: C12H14N2O6S CHARGE: 0 FORMULA: C11H12N2O3S CHARGE: 0 FORMULA: C27H48O4 CHARGE: 0 FORMULA: C27H48O4 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H46O5 CHARGE: 0 FORMULA: C27H46O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: -1 FORMULA: C27H43O3 CHARGE: -1 FORMULA: C27H43O3 CHARGE: 0 FORMULA: C27H44O2 CHARGE: 0 FORMULA: C27H44O2 CHARGE: 0 FORMULA: C27H44O2 CHARGE: 0 FORMULA: C27H44O CHARGE: 0 FORMULA: C27H44O CHARGE: 0 FORMULA: C27H44O2 CHARGE: 0 FORMULA: C27H44O2 CHARGE: -1 FORMULA: C5H8NO3S SMILES: CC(=O)N[C@@H](CS)C(O)=O CHARGE: -1 FORMULA: C21H31O6S CHARGE: -1 FORMULA: C21H31O6S CHARGE: -1 FORMULA: C21H31O6S CHARGE: -1 FORMULA: C21H31O6S CHARGE: 1 FORMULA: C4H8NOS SMILES: N[C@H]1CCSC1=O CHARGE: -1 FORMULA: C20H31O6 SMILES: CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C5H8NO3 SMILES: C[C@H](NC(C)=O)C(O)=O CHARGE: -1 FORMULA: C5H8NO3 SMILES: C[C@H](NC(C)=O)C(O)=O CHARGE: -1 FORMULA: C6H9N2O4 CHARGE: -1 FORMULA: C6H9N2O4 CHARGE: -1 FORMULA: C9H4NO4 CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(O)=O CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(O)=O CHARGE: -1 FORMULA: C9H15N2O5 CHARGE: -2 FORMULA: C15H22N4O9S CHARGE: 0 FORMULA: C20H30O2 CHARGE: 0 FORMULA: C20H30O2 CHARGE: 1 FORMULA: C12H25N2O7 CHARGE: 0 FORMULA: C10H11NO2 CHARGE: 0 FORMULA: C10H11NO2 CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CHARGE: -1 FORMULA: C16H21O4 CHARGE: -1 FORMULA: C16H21O4 CHARGE: -1 FORMULA: C16H21O4 CHARGE: -1 FORMULA: C16H21O4 CHARGE: -1 FORMULA: C15H19O4 CHARGE: -1 FORMULA: C15H19O4 CHARGE: -1 FORMULA: C15H19O4 CHARGE: -1 FORMULA: C15H19O4 CHARGE: 3 FORMULA: C10H26N3O CHARGE: 3 FORMULA: C10H26N3O CHARGE: 3 FORMULA: C10H26N3O CHARGE: 2 FORMULA: C10H22N2O2 CHARGE: 2 FORMULA: C10H22N2O2 CHARGE: 2 FORMULA: C10H22N2O2 CHARGE: 2 FORMULA: C10H25N3O2 CHARGE: 2 FORMULA: C7H18N2O CHARGE: 2 FORMULA: C7H18N2O CHARGE: 2 FORMULA: C7H18N2O CHARGE: 2 FORMULA: C7H18N2O SMILES: [H]C(=O)CCCNCCCN CHARGE: 2 FORMULA: C7H18N2O SMILES: [H]C(=O)CCCNCCCN CHARGE: 2 FORMULA: C7H18N2O SMILES: [H]C(=O)CCCNCCCN CHARGE: 1 FORMULA: C7H17N2O2 CHARGE: 1 FORMULA: C7H14NO2 CHARGE: 1 FORMULA: C7H14NO2 CHARGE: 1 FORMULA: C7H14NO2 CHARGE: 1 FORMULA: C4H8N SMILES: C1CC=[NH+]C1 CHARGE: 0 FORMULA: CH2NO2S CHARGE: 0 FORMULA: CH2NO2S CHARGE: 0 FORMULA: CH2NO2S CHARGE: 0 FORMULA: CH2NO2S CHARGE: 0 FORMULA: C9H16O2 SMILES: [H]C(=CC=O)C(O)CCCCC CHARGE: 0 FORMULA: CHNOS CHARGE: 0 FORMULA: CHNOS CHARGE: 0 FORMULA: CHNOS CHARGE: 0 FORMULA: CHNOS CHARGE: 0 FORMULA: CHNOS CHARGE: -1 FORMULA: C22H34NO3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC([O-])=O CHARGE: -1 FORMULA: C7H10NO3 SMILES: CC(C)=CC(=O)NCC(O)=O CHARGE: -1 FORMULA: C5H9O3 SMILES: CC(C)(O)CC(O)=O CHARGE: 0 FORMULA: C40H70N7O17P3S SMILES: CC(C)CCCC(C)CCCC(C)CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C18H33O4 CHARGE: -1 FORMULA: C18H33O4 CHARGE: -1 FORMULA: C18H33O4 CHARGE: -1 FORMULA: C18H33O4 CHARGE: -1 FORMULA: C20H29O5 SMILES: O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O CHARGE: -1 FORMULA: C20H29O5 SMILES: O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O CHARGE: -1 FORMULA: C20H29O5 SMILES: O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O CHARGE: -2 FORMULA: C20H28O6 SMILES: C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC([O-])=O CHARGE: -2 FORMULA: C20H28O6 SMILES: C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC([O-])=O CHARGE: -2 FORMULA: C20H28O6 SMILES: C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O6 CHARGE: -1 FORMULA: C20H31O6 CHARGE: 0 FORMULA: C10H16O2 CHARGE: -1 FORMULA: C11H15N4O4 CHARGE: 1 FORMULA: C7H17N2O2 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -2 FORMULA: C11H13N3O5S CHARGE: -1 FORMULA: C9H12N3O4S CHARGE: 0 FORMULA: C16H22N2O9 CHARGE: 0 FORMULA: C16H22N2O9 CHARGE: 0 FORMULA: C14H26N2O3S2 CHARGE: 0 FORMULA: C11H11NO2 CHARGE: 1 FORMULA: C11H13N2 CHARGE: 1 FORMULA: C11H13N2O SMILES: Oc1ccc2[nH]c3CNCCc3c2c1 CHARGE: 1 FORMULA: C9H12NO2 CHARGE: 0 FORMULA: C10H13NO3 CHARGE: 1 FORMULA: C9H12NO3 CHARGE: 0 FORMULA: C10H13NO4 CHARGE: 0 FORMULA: C18H24O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1c(O)c(O)ccc21 CHARGE: 0 FORMULA: C18H24O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1c(O)c(O)ccc21 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C19H26O3 CHARGE: 0 FORMULA: C19H24O3 CHARGE: 0 FORMULA: C19H26O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(OC)cc21 CHARGE: 0 FORMULA: C19H24O3 CHARGE: 1 FORMULA: C11H16NO2 CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)C[C@H](O)CC(C)(C)O CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)C[C@H](O)CC(C)(C)O CHARGE: 0 FORMULA: C27H44O4 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)C[C@H](O)CC(C)(O)CO CHARGE: 0 FORMULA: C27H44O4 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)C[C@H](O)CC(C)(O)CO CHARGE: 0 FORMULA: C27H42O4 CHARGE: 0 FORMULA: C27H42O4 CHARGE: 0 FORMULA: C27H40O4 CHARGE: 0 FORMULA: C27H40O4 CHARGE: 0 FORMULA: C27H42O4 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCC(=O)C(C)(C)O CHARGE: 0 FORMULA: C27H42O4 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCC(=O)C(C)(C)O CHARGE: 0 FORMULA: C27H42O5 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC(O)C(=O)C(C)(C)O CHARGE: 0 FORMULA: C27H42O5 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC(O)C(=O)C(C)(C)O CHARGE: 0 FORMULA: C19H32O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C21H34O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C21H34O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -4 FORMULA: C43H72N7O17P3S CHARGE: -4 FORMULA: C43H72N7O17P3S CHARGE: -4 FORMULA: C41H68N7O17P3S CHARGE: -4 FORMULA: C45H76N7O17P3S CHARGE: -4 FORMULA: C43H74N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H70N7O18P3S SMILES: CCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O18P3S SMILES: CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O18P3S SMILES: CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O18P3S SMILES: CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H78N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H72N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H72N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H68N7O18P3S SMILES: CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H76N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H76N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H74N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H74N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: -2 FORMULA: C24H40O10 CHARGE: 0 FORMULA: C29H48O CHARGE: 0 FORMULA: C29H48O CHARGE: 0 FORMULA: C29H50O CHARGE: 0 FORMULA: C29H50O CHARGE: 0 FORMULA: C27H46O SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2 CHARGE: 0 FORMULA: C27H42O SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C27H42O SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C CHARGE: -1 FORMULA: C27H41O4 CHARGE: -1 FORMULA: C27H41O4 CHARGE: -1 FORMULA: C20H39O2 CHARGE: -1 FORMULA: C20H39O2 CHARGE: -1 FORMULA: C19H37O2 CHARGE: -1 FORMULA: C19H37O2 CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -4 FORMULA: C37H58N7O18P3S CHARGE: -4 FORMULA: C33H52N7O18P3S CHARGE: -4 FORMULA: C33H52N7O18P3S CHARGE: -4 FORMULA: C33H52N7O18P3S CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: -4 FORMULA: C37H56N7O18P3S CHARGE: -4 FORMULA: C37H56N7O18P3S CHARGE: -4 FORMULA: C37H56N7O18P3S CHARGE: -4 FORMULA: C35H52N7O18P3S CHARGE: -4 FORMULA: C35H52N7O18P3S CHARGE: -4 FORMULA: C35H52N7O18P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C39H60N7O17P3S CHARGE: -4 FORMULA: C39H60N7O17P3S CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H60N7O18P3S CHARGE: -4 FORMULA: C39H58N7O18P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H37O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCC(O)=O CHARGE: 0 FORMULA: C22H42O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O CHARGE: -1 FORMULA: C20H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H33O3 CHARGE: -1 FORMULA: C20H29O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H29O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H29O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O3 CHARGE: -1 FORMULA: C20H31O3 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H31O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: 0 FORMULA: C9H16O3 CHARGE: 0 FORMULA: C9H14O2 SMILES: CCCCCC(=O)\C=C\C=O CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H60N7O18P3S CHARGE: -4 FORMULA: C37H60N7O18P3S CHARGE: -4 FORMULA: C37H60N7O18P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C33H50N7O17P3S CHARGE: -4 FORMULA: C33H50N7O17P3S CHARGE: -4 FORMULA: C33H52N7O18P3S CHARGE: -4 FORMULA: C33H52N7O18P3S CHARGE: -4 FORMULA: C33H52N7O18P3S CHARGE: 0 FORMULA: C11H11N5O CHARGE: 0 FORMULA: C11H11N5O CHARGE: -1 FORMULA: C17H18N5O7 CHARGE: -1 FORMULA: C17H18N5O7 CHARGE: 0 FORMULA: C9H13N5O3 SMILES: CC(O)C(O)C1=Nc2c(NC1)[nH]c(N)nc2=O CHARGE: 0 FORMULA: C9H13N5O3 SMILES: CC(O)C(O)C1=Nc2c(NC1)[nH]c(N)nc2=O CHARGE: 0 FORMULA: C28H37N5O7 CHARGE: 0 FORMULA: C15H12I3NO4 CHARGE: 0 FORMULA: C15H12I3NO4 CHARGE: 0 FORMULA: C54H92O46 CHARGE: 0 FORMULA: C54H92O46 CHARGE: 0 FORMULA: C60H102O51 CHARGE: 0 FORMULA: C60H102O51 CHARGE: -1 FORMULA: C12H24N2O10P CHARGE: 0 FORMULA: C8H15NO7 SMILES: [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O CHARGE: -2 FORMULA: C8H14NO10P CHARGE: 2 FORMULA: C46H74N14O10 CHARGE: 1 FORMULA: C57H91N18O16 CHARGE: 1 FORMULA: C57H91N18O16 CHARGE: 0 FORMULA: C21H33N3O5 CHARGE: 0 FORMULA: C21H33N3O5 CHARGE: 0 FORMULA: C15H13I2NO4 SMILES: N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H13I2NO4 SMILES: N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H13I2NO4 SMILES: N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C15H12I2NO7S CHARGE: -1 FORMULA: C15H12I2NO7S CHARGE: -1 FORMULA: C15H12I2NO7S CHARGE: 0 FORMULA: C15H13I2NO4 CHARGE: 0 FORMULA: C15H13I2NO4 CHARGE: 0 FORMULA: C15H13I2NO4 CHARGE: -1 FORMULA: C15H12I2NO7S CHARGE: -1 FORMULA: C15H12I2NO7S CHARGE: -1 FORMULA: C15H12I2NO7S CHARGE: 0 FORMULA: C15H14INO4 CHARGE: 0 FORMULA: C15H14INO4 CHARGE: 0 FORMULA: C15H14INO4 CHARGE: -1 FORMULA: C15H13INO7S CHARGE: -1 FORMULA: C15H13INO7S CHARGE: -1 FORMULA: C15H13INO7S CHARGE: -1 FORMULA: C21H20I2NO10 CHARGE: -1 FORMULA: C21H20I2NO10 CHARGE: -1 FORMULA: C21H18I4NO10 CHARGE: -1 FORMULA: C21H18I4NO10 CHARGE: -1 FORMULA: C21H19I3NO10 CHARGE: -1 FORMULA: C21H19I3NO10 CHARGE: -1 FORMULA: C21H19I3NO10 CHARGE: -1 FORMULA: C21H19I3NO10 CHARGE: -1 FORMULA: C21H20I2NO10 CHARGE: -1 FORMULA: C21H20I2NO10 CHARGE: -1 FORMULA: C14H7I4O4 CHARGE: -1 FORMULA: C14H7I4O4 CHARGE: -1 FORMULA: C14H8I3O4 CHARGE: -1 FORMULA: C14H8I3O4 CHARGE: -1 FORMULA: C14H8I3O4 CHARGE: -1 FORMULA: C14H8I3O4 CHARGE: -1 FORMULA: C14H9I2O4 CHARGE: -1 FORMULA: C14H9I2O4 CHARGE: -2 FORMULA: C20H14I4O10 CHARGE: -2 FORMULA: C20H14I4O10 CHARGE: -2 FORMULA: C20H15I3O10 CHARGE: -2 FORMULA: C20H15I3O10 CHARGE: -2 FORMULA: C20H15I3O10 CHARGE: -2 FORMULA: C20H15I3O10 CHARGE: -2 FORMULA: C20H16I2O10 CHARGE: -2 FORMULA: C20H16I2O10 CHARGE: 2 FORMULA: C18H39N9O4 CHARGE: 3 FORMULA: C74H118N21O17 CHARGE: -1 FORMULA: C44H60N7O11 CHARGE: -1 FORMULA: C44H60N7O11 CHARGE: -1 FORMULA: C35H51N6O10 CHARGE: -1 FORMULA: C35H51N6O10 CHARGE: 3 FORMULA: C69H114N23O16S CHARGE: 3 FORMULA: C69H114N23O16S CHARGE: -1 FORMULA: C10H10NO3 SMILES: Cc1ccccc1C(=O)NCC(O)=O CHARGE: -1 FORMULA: C16H16NO9 CHARGE: -2 FORMULA: C10H5NO4 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H25O2 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C26H35O9 CHARGE: -1 FORMULA: C26H35O9 CHARGE: 0 FORMULA: C22H32O3 CHARGE: 0 FORMULA: C22H32O3 CHARGE: -1 FORMULA: C28H39O9 CHARGE: -1 FORMULA: C28H39O9 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C27H43O4 CHARGE: -1 FORMULA: C27H43O4 CHARGE: -1 FORMULA: C16H20NO9 CHARGE: 0 FORMULA: C11H8N2 SMILES: c1ccc2c(c1)[nH]c1cnccc21 CHARGE: -1 FORMULA: C26H36N5O14S CHARGE: -1 FORMULA: C26H36N5O14S CHARGE: -1 FORMULA: C20H27O3 CHARGE: 0 FORMULA: C17H22N2O7 CHARGE: -2 FORMULA: C23H37O7P CHARGE: -2 FORMULA: C23H37O7P CHARGE: -2 FORMULA: C23H37O7P CHARGE: -1 FORMULA: C20H31O7 CHARGE: -1 FORMULA: C20H31O7 CHARGE: 0 FORMULA: ClHO SMILES: OCl CHARGE: 0 FORMULA: ClHO SMILES: OCl CHARGE: 0 FORMULA: ClHO SMILES: OCl CHARGE: 0 FORMULA: ClHO SMILES: OCl CHARGE: -1 FORMULA: C38H49N6O10 CHARGE: -1 FORMULA: C38H49N6O10 CHARGE: -1 FORMULA: C29H40N5O9 CHARGE: -1 FORMULA: C29H40N5O9 CHARGE: 3 FORMULA: C60H105N22O15S CHARGE: 3 FORMULA: C60H105N22O15S CHARGE: 1 FORMULA: C20H40N5O6 CHARGE: 2 FORMULA: C26H45N11O6 CHARGE: -1 FORMULA: C24H35O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: 0 FORMULA: C5H9NO2 SMILES: [H]C(=O)CCNC(C)=O CHARGE: 0 FORMULA: C5H9NO2 SMILES: [H]C(=O)CCNC(C)=O CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: -4 FORMULA: C41H64N7O18P3S CHARGE: -4 FORMULA: C35H54N7O18P3S CHARGE: -4 FORMULA: C41H62N7O18P3S CHARGE: -4 FORMULA: C41H62N7O18P3S CHARGE: -4 FORMULA: C41H62N7O18P3S CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C30H46N7O18P3S CHARGE: -4 FORMULA: C30H48N7O17P3S CHARGE: -4 FORMULA: C30H48N7O17P3S CHARGE: -4 FORMULA: C30H46N7O17P3S CHARGE: -4 FORMULA: C30H48N7O18P3S CHARGE: -4 FORMULA: C32H52N7O18P3S CHARGE: -4 FORMULA: C27H42N7O18P3S CHARGE: -4 FORMULA: C32H50N7O18P3S CHARGE: -4 FORMULA: C27H40N7O18P3S CHARGE: -4 FORMULA: C32H52N7O17P3S CHARGE: -4 FORMULA: C32H52N7O17P3S CHARGE: -4 FORMULA: C32H50N7O17P3S CHARGE: -4 FORMULA: C27H40N7O17P3S CHARGE: -4 FORMULA: C27H42N7O17P3S CHARGE: -4 FORMULA: C41H62N7O18P3S CHARGE: -4 FORMULA: C41H62N7O18P3S CHARGE: -4 FORMULA: C41H60N7O18P3S CHARGE: -4 FORMULA: C41H60N7O18P3S CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C41H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H58N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H66N7O17P3S CHARGE: -4 FORMULA: C45H66N7O17P3S CHARGE: -4 FORMULA: C43H64N7O18P3S CHARGE: -4 FORMULA: C43H64N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C43H62N7O18P3S CHARGE: -4 FORMULA: C43H62N7O18P3S CHARGE: -4 FORMULA: C45H66N7O18P3S CHARGE: -4 FORMULA: C45H66N7O18P3S CHARGE: -4 FORMULA: C45H66N7O18P3S CHARGE: -4 FORMULA: C43H62N7O17P3S CHARGE: -4 FORMULA: C43H62N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H66N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H68N7O17P3S CHARGE: -4 FORMULA: C45H68N7O17P3S CHARGE: -4 FORMULA: C45H66N7O18P3S CHARGE: -4 FORMULA: C45H64N7O18P3S CHARGE: -4 FORMULA: C43H62N7O17P3S SMILES: C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)(=O)* CHARGE: -4 FORMULA: C45H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C45H68N7O17P3S CHARGE: -4 FORMULA: C45H68N7O17P3S CHARGE: -4 FORMULA: C43H66N7O18P3S CHARGE: -4 FORMULA: C43H66N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C43H64N7O18P3S CHARGE: -4 FORMULA: C43H64N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: -4 FORMULA: C45H66N7O17P3S CHARGE: -1 FORMULA: C24H37O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -4 FORMULA: C41H66N7O18P3S CHARGE: -4 FORMULA: C41H66N7O18P3S CHARGE: -4 FORMULA: C41H64N7O18P3S CHARGE: -4 FORMULA: C41H64N7O18P3S CHARGE: -4 FORMULA: C41H64N7O17P3S CHARGE: -4 FORMULA: C41H64N7O17P3S CHARGE: -4 FORMULA: C41H66N7O17P3S CHARGE: -4 FORMULA: C41H66N7O17P3S CHARGE: -4 FORMULA: C43H68N7O18P3S CHARGE: -4 FORMULA: C43H68N7O18P3S CHARGE: -4 FORMULA: C43H66N7O18P3S CHARGE: -4 FORMULA: C43H66N7O18P3S CHARGE: -4 FORMULA: C43H66N7O17P3S CHARGE: -4 FORMULA: C43H66N7O17P3S CHARGE: -4 FORMULA: C43H68N7O17P3S CHARGE: -4 FORMULA: C43H68N7O17P3S CHARGE: -4 FORMULA: C43H66N7O18P3S CHARGE: -4 FORMULA: C43H66N7O18P3S CHARGE: -4 FORMULA: C45H70N7O18P3S CHARGE: -4 FORMULA: C45H70N7O18P3S CHARGE: -4 FORMULA: C43H64N7O18P3S CHARGE: -4 FORMULA: C43H64N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C45H68N7O18P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C45H68N7O17P3S CHARGE: -4 FORMULA: C45H68N7O17P3S CHARGE: -4 FORMULA: C43H66N7O17P3S CHARGE: -4 FORMULA: C43H66N7O17P3S CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: 0 FORMULA: C27H46O4 SMILES: [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: 0 FORMULA: C27H48O5 CHARGE: 0 FORMULA: C27H48O5 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H27O3 CHARGE: 0 FORMULA: ClNO2 CHARGE: 0 FORMULA: ClNO2 CHARGE: 0 FORMULA: ClNO2 CHARGE: 0 FORMULA: ClNO2 CHARGE: 0 FORMULA: C8H7NO2 SMILES: Oc1cc2cc[nH]c2cc1O CHARGE: 0 FORMULA: C8H7NO2 SMILES: Oc1cc2cc[nH]c2cc1O CHARGE: 1 FORMULA: C11H16NO2 CHARGE: -1 FORMULA: C28H45O4 CHARGE: -1 FORMULA: C28H45O4 CHARGE: -2 FORMULA: C25H37NO6S CHARGE: -2 FORMULA: C25H37NO6S CHARGE: -1 FORMULA: C7H12NO3 SMILES: CC(C)CC(=O)NCC(O)=O CHARGE: -1 FORMULA: C6H10NO3 SMILES: CC(C)C(=O)NCC(O)=O CHARGE: -1 FORMULA: C7H12NO3 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O5 CHARGE: -1 FORMULA: C20H33O5 CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: 0 FORMULA: C20H30O2 CHARGE: 0 FORMULA: C20H28 CHARGE: 0 FORMULA: C20H32O3 CHARGE: 0 FORMULA: C29H52O3 CHARGE: 0 FORMULA: C29H50O3 CHARGE: 0 FORMULA: C18H26N4O8S CHARGE: 0 FORMULA: C18H26N4O8S CHARGE: -1 FORMULA: C19H25N4O10S CHARGE: -1 FORMULA: C19H25N4O10S CHARGE: -2 FORMULA: C6H6O4 CHARGE: 0 FORMULA: C21H34O3 CHARGE: 0 FORMULA: C21H34O3 CHARGE: -1 FORMULA: C23H33O4 CHARGE: -1 FORMULA: C23H33O4 CHARGE: -1 FORMULA: C9H15N2O5S CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C11H15O16P2R2 SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -4 FORMULA: C41H62N7O17P3S CHARGE: -4 FORMULA: C41H62N7O17P3S CHARGE: -4 FORMULA: C41H62N7O17P3S CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C41H62N7O17P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C41H70N7O17P3S CHARGE: -4 FORMULA: C41H70N7O17P3S CHARGE: 0 FORMULA: C41H74N7O18P3S SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C40H68N7O17P3S CHARGE: -4 FORMULA: C40H68N7O17P3S CHARGE: -4 FORMULA: C40H68N7O17P3S CHARGE: -5 FORMULA: C41H76O19P3 NON_SPECIFIC_FORMULA: C26H45O19P3R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O6 CHARGE: -1 FORMULA: C20H29O6 CHARGE: -1 FORMULA: C20H29O7 CHARGE: -1 FORMULA: C20H29O7 CHARGE: -1 FORMULA: C20H27O5 CHARGE: -4 FORMULA: C41H66N7O18P3S CHARGE: -4 FORMULA: C41H66N7O18P3S CHARGE: -4 FORMULA: C41H68N7O18P3S CHARGE: -4 FORMULA: C41H68N7O18P3S CHARGE: -4 FORMULA: C41H66N7O17P3S CHARGE: -4 FORMULA: C41H66N7O17P3S CHARGE: -4 FORMULA: C41H68N7O17P3S CHARGE: -4 FORMULA: C41H68N7O17P3S CHARGE: -4 FORMULA: C43H70N7O18P3S CHARGE: -4 FORMULA: C43H70N7O18P3S CHARGE: -4 FORMULA: C43H72N7O18P3S CHARGE: -4 FORMULA: C43H72N7O18P3S CHARGE: -4 FORMULA: C43H70N7O17P3S CHARGE: -4 FORMULA: C43H70N7O17P3S CHARGE: -4 FORMULA: C43H72N7O17P3S CHARGE: -4 FORMULA: C43H72N7O17P3S CHARGE: -4 FORMULA: C45H74N7O18P3S CHARGE: -4 FORMULA: C45H74N7O18P3S CHARGE: -4 FORMULA: C45H76N7O18P3S CHARGE: -4 FORMULA: C45H76N7O18P3S CHARGE: -4 FORMULA: C45H74N7O17P3S CHARGE: -4 FORMULA: C45H74N7O17P3S CHARGE: -4 FORMULA: C45H76N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: -4 FORMULA: C39H62N7O18P3S CHARGE: -4 FORMULA: C39H64N7O18P3S CHARGE: -4 FORMULA: C39H64N7O18P3S CHARGE: -4 FORMULA: C39H62N7O17P3S CHARGE: -4 FORMULA: C39H62N7O17P3S CHARGE: -4 FORMULA: C48H76N7O20P3S SMILES: [H][C@@](C)(CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: 0 FORMULA: C48H80N7O20P3S SMILES: [H][C@@](C)(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: 0 FORMULA: C48H80N7O20P3S SMILES: [H][C@@](C)(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H76N7O21P3S CHARGE: -4 FORMULA: C48H76N7O21P3S CHARGE: -4 FORMULA: C48H76N7O21P3S CHARGE: -4 FORMULA: C48H74N7O21P3S SMILES: [H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H74N7O21P3S SMILES: [H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: 0 FORMULA: C9H13N5O3 CHARGE: 0 FORMULA: C9H13N5O3 CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H38N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: -1 FORMULA: C28H36N3O9S CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H22O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: 0 FORMULA: C18H20O3 CHARGE: -1 FORMULA: C12H13N2O5S CHARGE: 0 FORMULA: C11H14N2O4S CHARGE: 1 FORMULA: C8H10NO2 CHARGE: 1 FORMULA: C8H10NO2 CHARGE: 1 FORMULA: C8H10NO2 CHARGE: 0 FORMULA: C8H8NO2 CHARGE: -2 FORMULA: C9H6NO4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C14H25O4 CHARGE: -1 FORMULA: C16H27O4 CHARGE: -1 FORMULA: C18H27O4 CHARGE: -1 FORMULA: C18H27O4 CHARGE: -1 FORMULA: C18H27O4 CHARGE: -1 FORMULA: C14H23O4 CHARGE: -1 FORMULA: C16H25O4 CHARGE: -1 FORMULA: C12H21O3 CHARGE: -1 FORMULA: C14H21O3 CHARGE: -1 FORMULA: C14H23O3 CHARGE: -1 FORMULA: C14H23O3 CHARGE: -1 FORMULA: C16H23O3 CHARGE: -1 FORMULA: C16H25O3 CHARGE: -1 FORMULA: C16H25O3 CHARGE: -1 FORMULA: C14H25O4 CHARGE: -1 FORMULA: C16H27O4 CHARGE: -1 FORMULA: C18H27O4 CHARGE: -1 FORMULA: C18H27O4 CHARGE: -1 FORMULA: C18H27O4 CHARGE: -1 FORMULA: C14H23O4 CHARGE: -1 FORMULA: C16H25O4 CHARGE: -1 FORMULA: C12H21O3 CHARGE: -1 FORMULA: C14H21O3 CHARGE: -1 FORMULA: C14H23O3 CHARGE: -1 FORMULA: C14H23O3 CHARGE: -1 FORMULA: C16H23O3 CHARGE: -1 FORMULA: C16H25O3 CHARGE: -1 FORMULA: C16H25O3 CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H60N7O20P3S CHARGE: -4 FORMULA: C41H60N7O20P3S CHARGE: -4 FORMULA: C41H60N7O20P3S CHARGE: -4 FORMULA: C39H58N7O19P3S CHARGE: -4 FORMULA: C39H58N7O19P3S CHARGE: -4 FORMULA: C39H58N7O19P3S CHARGE: -4 FORMULA: C41H60N7O19P3S CHARGE: -4 FORMULA: C41H60N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H60N7O20P3S CHARGE: -4 FORMULA: C41H60N7O20P3S CHARGE: -4 FORMULA: C41H60N7O20P3S CHARGE: -4 FORMULA: C39H58N7O19P3S CHARGE: -4 FORMULA: C39H58N7O19P3S CHARGE: -4 FORMULA: C39H58N7O19P3S CHARGE: -4 FORMULA: C41H60N7O19P3S CHARGE: -4 FORMULA: C41H60N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C6H11O3 SMILES: CC(C)C[C@@H](O)C([O-])=O CHARGE: -2 FORMULA: C20H26O6 CHARGE: -2 FORMULA: C20H26O6 CHARGE: -2 FORMULA: C20H26O6 CHARGE: -1 FORMULA: C18H30O3 CHARGE: -1 FORMULA: C18H30O3 CHARGE: -1 FORMULA: C18H30O4 CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -1 FORMULA: C20H31O6 CHARGE: -1 FORMULA: C20H31O6 CHARGE: -1 FORMULA: C20H30O4 CHARGE: 0 FORMULA: C9H9NO3 CHARGE: 0 FORMULA: C9H9NO3 CHARGE: -1 FORMULA: C20H30O4 CHARGE: 0 FORMULA: C8H7NO3 CHARGE: 0 FORMULA: C8H7NO3 CHARGE: -1 FORMULA: C9H9NO3 CHARGE: -1 FORMULA: C8H7NO3 CHARGE: -2 FORMULA: C19H22N4O10S CHARGE: -2 FORMULA: C19H22N4O10S CHARGE: -1 FORMULA: C18H23N4O8S CHARGE: -1 FORMULA: C18H23N4O8S CHARGE: -1 FORMULA: C19H25N4O9S CHARGE: -1 FORMULA: C19H25N4O9S CHARGE: -1 FORMULA: C18H23N4O9S CHARGE: -1 FORMULA: C18H23N4O9S CHARGE: -1 FORMULA: C26H42NO4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 3 FORMULA: C7H20N3 SMILES: [NH3+]CCC\C=[NH+]\CCC[NH3+] CHARGE: 2 FORMULA: C10H25N3O2 SMILES: NCCCCNCCCC[C@H](N)C(O)=O CHARGE: 0 FORMULA: C20H28O2 CHARGE: 0 FORMULA: C20H28O2 CHARGE: 0 FORMULA: C20H28O2 CHARGE: 0 FORMULA: C20H28O2 CHARGE: 0 FORMULA: C20H28O2 CHARGE: 0 FORMULA: C20H28O2 CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O CHARGE: 0 FORMULA: C11H13NO4 CHARGE: 0 FORMULA: C12H15NO4 CHARGE: -1 FORMULA: NO3 SMILES: [O-]ON=O CHARGE: -1 FORMULA: C20H25O3 CHARGE: -1 FORMULA: C20H25O3 CHARGE: -1 FORMULA: C20H25O3 CHARGE: -1 FORMULA: C20H25O3 CHARGE: 0 FORMULA: C28H48O3 CHARGE: 0 FORMULA: C28H48O3 CHARGE: -1 FORMULA: C18H25N5O8PS2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCCC2CCSS2)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: 0 FORMULA: C8H9NO2 CHARGE: -1 FORMULA: C12H11N2O5S CHARGE: 0 FORMULA: C23H38O6 CHARGE: 0 FORMULA: C23H38O6 CHARGE: 0 FORMULA: C23H38O7 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)OCC(O)CO)[C@@H](O)CC1=O CHARGE: 0 FORMULA: C23H38O7 CHARGE: -1 FORMULA: C26H35O8 CHARGE: -1 FORMULA: C26H35O8 CHARGE: -1 FORMULA: C26H33O9 CHARGE: -1 FORMULA: C26H33O9 CHARGE: 0 FORMULA: C76H104N18O19S2 SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N CHARGE: 2 FORMULA: C71H98N16O17S2 CHARGE: 2 FORMULA: C56H87N17O11 CHARGE: 2 FORMULA: C56H87N17O11 CHARGE: 1 FORMULA: C15H31N6O4 CHARGE: 2 FORMULA: C41H67N15O9 CHARGE: 2 FORMULA: C41H67N15O9 CHARGE: 2 FORMULA: C50H76N16O10 CHARGE: 2 FORMULA: C50H76N16O10 CHARGE: 1 FORMULA: C35H47N10O7 CHARGE: 1 FORMULA: C52H74N15O12S CHARGE: 1 FORMULA: C52H74N15O12S CHARGE: 0 FORMULA: C12H22N4O5 CHARGE: 0 FORMULA: C12H22N4O5 CHARGE: 1 FORMULA: C40H54N11O8S CHARGE: 1 FORMULA: C40H54N11O8S CHARGE: 0 FORMULA: C32H51N5O7 CHARGE: 0 FORMULA: C32H51N5O7 CHARGE: 0 FORMULA: C26H40N4O6 CHARGE: 0 FORMULA: C26H40N4O6 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: 1 FORMULA: C11H18N5O2 CHARGE: -1 FORMULA: C20H33O5 CHARGE: 0 FORMULA: C18H34N4O6 CHARGE: 0 FORMULA: C29H50O3 CHARGE: 0 FORMULA: C29H50O5 CHARGE: 0 FORMULA: C29H50O4 CHARGE: 0 FORMULA: C29H50O5 CHARGE: 0 FORMULA: C29H50O4 CHARGE: 0 FORMULA: C29H50O3 CHARGE: 0 FORMULA: C29H50O3 CHARGE: -1 FORMULA: C29H47O4 CHARGE: -1 FORMULA: C29H47O4 CHARGE: -1 FORMULA: C22H29O10 CHARGE: -1 FORMULA: C22H29O10 CHARGE: -1 FORMULA: C22H29O10 CHARGE: -1 FORMULA: C22H29O10 CHARGE: -1 FORMULA: C21H27O10 CHARGE: -1 FORMULA: C21H27O10 CHARGE: -1 FORMULA: C21H27O10 CHARGE: -1 FORMULA: C21H27O10 CHARGE: 0 FORMULA: C12H16N2O3 CHARGE: 0 FORMULA: C9H18N2O4 CHARGE: 0 FORMULA: C9H18N2O3 CHARGE: -1 FORMULA: C20H32N5O9 CHARGE: -1 FORMULA: C20H32N5O9 CHARGE: -2 FORMULA: C9H12N2O7 CHARGE: -2 FORMULA: C9H12N2O7 CHARGE: 1 FORMULA: C11H22N3O3 CHARGE: 1 FORMULA: C11H22N3O3 CHARGE: -5 FORMULA: C27H37N7O19P3S CHARGE: 0 FORMULA: C5H11 CHARGE: -1 FORMULA: C13H19O3 CHARGE: 0 FORMULA: C8H15O2 CHARGE: -1 FORMULA: C18H31O5 CHARGE: 0 FORMULA: C20H34O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H30O4 CHARGE: -1 FORMULA: C20H31O6 CHARGE: -1 FORMULA: C20H30O4 CHARGE: -1 FORMULA: C20H33O5 CHARGE: -1 FORMULA: C20H31O6 CHARGE: -1 FORMULA: C20H33O5 CHARGE: 0 FORMULA: C20H30O2 CHARGE: -4 FORMULA: C40H68N7O18P3S CHARGE: -4 FORMULA: C35H58N7O17P3S CHARGE: -4 FORMULA: C35H58N7O17P3S CHARGE: -4 FORMULA: C37H60N7O17P3S CHARGE: -4 FORMULA: C37H60N7O18P3S CHARGE: -4 FORMULA: C37H62N7O18P3S CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H56N7O18P3S CHARGE: -4 FORMULA: C35H58N7O18P3S CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H33O6 CHARGE: -1 FORMULA: C20H33O6 CHARGE: -1 FORMULA: C20H33O7 CHARGE: -1 FORMULA: C20H33O7 CHARGE: -2 FORMULA: C20H30O6 CHARGE: -2 FORMULA: C20H30O6 CHARGE: -2 FORMULA: C20H30O6 CHARGE: -3 FORMULA: C20H33O7P2 CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C41H62N7O20P3S CHARGE: -4 FORMULA: C39H60N7O19P3S CHARGE: -4 FORMULA: C39H60N7O19P3S CHARGE: -4 FORMULA: C39H60N7O19P3S CHARGE: -1 FORMULA: C18H29O4 CHARGE: -1 FORMULA: C18H29O4 CHARGE: -1 FORMULA: C18H29O4 CHARGE: -4 FORMULA: C41H64N7O19P3S CHARGE: -4 FORMULA: C41H64N7O19P3S CHARGE: -4 FORMULA: C41H64N7O19P3S CHARGE: -4 FORMULA: C41H64N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H62N7O19P3S CHARGE: -4 FORMULA: C41H64N7O20P3S CHARGE: -4 FORMULA: C41H64N7O20P3S CHARGE: -4 FORMULA: C41H64N7O20P3S CHARGE: -2 FORMULA: C20H28O6 CHARGE: -2 FORMULA: C20H28O6 CHARGE: -2 FORMULA: C20H28O6 CHARGE: 0 FORMULA: C28H47NO4 CHARGE: -1 FORMULA: C23H34NO6S CHARGE: -2 FORMULA: C23H33NO7S CHARGE: -1 FORMULA: CNO5 CHARGE: 0 FORMULA: C23H34O3 CHARGE: 0 FORMULA: C23H34O3 CHARGE: -1 FORMULA: C19H29O5S CHARGE: -1 FORMULA: C19H29O5S CHARGE: -1 FORMULA: C19H29O5S CHARGE: -5 FORMULA: C41H59N7O21P3S CHARGE: -5 FORMULA: C41H59N7O21P3S CHARGE: -5 FORMULA: C41H59N7O21P3S CHARGE: -5 FORMULA: C41H59N7O21P3S CHARGE: -5 FORMULA: C41H57N7O22P3S CHARGE: -5 FORMULA: C41H57N7O22P3S CHARGE: -5 FORMULA: C41H57N7O22P3S CHARGE: -5 FORMULA: C39H55N7O21P3S CHARGE: -5 FORMULA: C39H55N7O21P3S CHARGE: -5 FORMULA: C39H55N7O21P3S CHARGE: -2 FORMULA: C18H24O6 CHARGE: -2 FORMULA: C18H24O6 CHARGE: -2 FORMULA: C18H24O6 CHARGE: -5 FORMULA: C41H57N7O21P3S CHARGE: -5 FORMULA: C41H57N7O21P3S CHARGE: -5 FORMULA: C41H59N7O22P3S CHARGE: -5 FORMULA: C41H59N7O22P3S CHARGE: -5 FORMULA: C41H59N7O22P3S CHARGE: -5 FORMULA: C42H60N8O22P3S2 CHARGE: -5 FORMULA: C44H62N8O23P3S2 CHARGE: -5 FORMULA: C44H64N8O22P3S2 CHARGE: -5 FORMULA: C44H62N8O22P3S2 CHARGE: -5 FORMULA: C44H64N8O23P3S2 CHARGE: -2 FORMULA: C21H29NO7S CHARGE: -5 FORMULA: C42H60N8O23P3S2 CHARGE: -5 FORMULA: C42H58N8O22P3S2 CHARGE: 0 FORMULA: C11H13NO2 CHARGE: 0 FORMULA: C28H48O3 CHARGE: -5 FORMULA: C42H60N8O22P3S2 CHARGE: -5 FORMULA: C42H62N8O23P3S2 CHARGE: -5 FORMULA: C42H60N8O22P3S2 CHARGE: -5 FORMULA: C40H56N8O22P3S2 CHARGE: -2 FORMULA: C19H25NO7S CHARGE: -1 FORMULA: C20H33O4 CHARGE: -1 FORMULA: C20H33O6 CHARGE: -1 FORMULA: C20H33O6 CHARGE: -1 FORMULA: C20H33O5 CHARGE: -1 FORMULA: C20H33O5 CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H45N3O10S CHARGE: -2 FORMULA: C30H49N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -1 FORMULA: C20H31O5 SMILES: OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C20H31O5 CHARGE: -1 FORMULA: C20H31O5 CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -2 FORMULA: C30H47N3O10S CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: 0 FORMULA: C5H3N4O3 CHARGE: 1 FORMULA: C10H14NO2 CHARGE: 1 FORMULA: C10H14NO2 CHARGE: 1 FORMULA: C10H14NO2 CHARGE: -1 FORMULA: C18H31O4 SMILES: CCCCC\C=C/[C@H](OO)\C=C/CCCCCCCC(O)=O CHARGE: -1 FORMULA: C22H30O4 CHARGE: -2 FORMULA: C22H30O4 CHARGE: -2 FORMULA: C22H30O4 CHARGE: -2 FORMULA: C22H30O4 SMILES: CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/C\C=C/CCC([O-])=O CHARGE: -1 FORMULA: C22H30O4 CHARGE: -2 FORMULA: C22H30O4 CHARGE: -2 FORMULA: C22H30O4 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O6 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C22H31O5 CHARGE: -1 FORMULA: C18H31O4 CHARGE: -1 FORMULA: C18H31O6 CHARGE: 0 FORMULA: C9H16O2 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: 1 FORMULA: C28H47O2 CHARGE: -1 FORMULA: C28H39O4 CHARGE: -1 FORMULA: C28H39O4 CHARGE: 0 FORMULA: C28H42O3 CHARGE: 0 FORMULA: C28H42O3 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O3 CHARGE: 0 FORMULA: C20H30O4 CHARGE: 0 FORMULA: C20H30O4 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -2 FORMULA: C30H43N3O9S CHARGE: -1 FORMULA: C25H37N2O6S CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O3 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: -1 FORMULA: C20H29O4 CHARGE: 0 FORMULA: C28H48O3 CHARGE: -1 FORMULA: C20H27O4 CHARGE: -1 FORMULA: C20H27O4 CHARGE: -1 FORMULA: C20H27O4 CHARGE: -1 FORMULA: C20H27O4 CHARGE: -1 FORMULA: C20H27O4 CHARGE: -1 FORMULA: C20H27O4 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H27O3 CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H29O5 CHARGE: -1 FORMULA: C20H31O5 SMILES: OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: 0 FORMULA: C29H43O2 CHARGE: 0 FORMULA: C29H44O3 CHARGE: 0 FORMULA: C29H44O3 CHARGE: -1 FORMULA: C29H41O4 CHARGE: -1 FORMULA: C29H41O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -1 FORMULA: C20H31O4 CHARGE: -2 FORMULA: C9H10N2O5S CHARGE: -2 FORMULA: C16H21N5O8S CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H14O2 CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C20H12O CHARGE: 0 FORMULA: C24H14 SMILES: c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34 CHARGE: 0 FORMULA: C24H14 SMILES: c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34 CHARGE: 0 FORMULA: C24H16O CHARGE: 0 FORMULA: C24H16O CHARGE: 0 FORMULA: C24H16O CHARGE: 0 FORMULA: C24H18O2 CHARGE: 0 FORMULA: C24H18O2 CHARGE: 0 FORMULA: C24H18O2 CHARGE: 0 FORMULA: C24H16O3 CHARGE: 0 FORMULA: C24H16O3 CHARGE: 0 FORMULA: C20H16 CHARGE: 0 FORMULA: C20H16 CHARGE: 0 FORMULA: C20H18O CHARGE: 0 FORMULA: C20H18O CHARGE: 0 FORMULA: C20H18O CHARGE: 0 FORMULA: C20H20O2 CHARGE: 0 FORMULA: C20H20O2 CHARGE: 0 FORMULA: C20H20O2 CHARGE: 0 FORMULA: C20H18O3 CHARGE: 0 FORMULA: C20H18O3 CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -1 FORMULA: HS SMILES: [S-][H] CHARGE: -1 FORMULA: HS SMILES: [S-][H] CHARGE: -2 FORMULA: C3H2O4 SMILES: OC(=O)CC(O)=O CHARGE: -2 FORMULA: C3H2O4 SMILES: OC(=O)CC(O)=O CHARGE: -3 FORMULA: C6H3O6 SMILES: [O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C6H3O6 SMILES: [O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C6H3O6 SMILES: [O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O CHARGE: -4 FORMULA: C7H12O13P2 SMILES: O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C7H5O4 SMILES: Oc1ccc(O)c(c1)C([O-])=O CHARGE: 0 FORMULA: C10H16N4O3 CHARGE: -1 FORMULA: C5H6NO4 SMILES: NC(=O)CCC(=O)C([O-])=O CHARGE: -1 FORMULA: C5H6NO4 SMILES: NC(=O)CCC(=O)C([O-])=O CHARGE: 0 FORMULA: X CHARGE: 0 FORMULA: XH CHARGE: -2 FORMULA: C6H11O9P SMILES: OCC1(O)O[C@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C10H19NO2S2 SMILES: CC(=O)SC(CCS)CCCCC(N)=O CHARGE: -1 FORMULA: C12H20NO4S2 SMILES: NC(=O)CCCCC(S)CCSC(=O)CCC(O)=O CHARGE: -1 FORMULA: C3H9NO4P SMILES: C[NH2+]CCOP([O-])([O-])=O CHARGE: 0 FORMULA: C16H28N2O11 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CHARGE: 0 FORMULA: C16H28N2O11 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O5 SMILES: C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO CHARGE: -2 FORMULA: C4H4O4 SMILES: CC(C(O)=O)C(O)=O CHARGE: -2 FORMULA: C4H4O4 SMILES: CC(C(O)=O)C(O)=O CHARGE: 0 FORMULA: C4H6N2O2 SMILES: N[C@@H](CC#N)C(O)=O CHARGE: 0 FORMULA: C15H29NO4 SMILES: CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C15H29NO4 SMILES: CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: -2 FORMULA: C6H4NO6P SMILES: [O-][N+](=O)c1ccc(OP([O-])([O-])=O)cc1 CHARGE: -1 FORMULA: C11H18NO10 SMILES: [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -3 FORMULA: C30H49O7P2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@H]1[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C CHARGE: -2 FORMULA: C20H29N4O17P SMILES: [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -4 FORMULA: C6H10O12P2 SMILES: O[C@@H]1[C@H](O)C(O)(COP([O-])([O-])=O)O[C@@H]1COP([O-])([O-])=O CHARGE: -4 FORMULA: C25H38N7O18P3S SMILES: CC(CO)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C12H21N2O6S SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C([O-])=O CHARGE: -1 FORMULA: C12H21N2O6S SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C([O-])=O CHARGE: 0 FORMULA: C9H13N5O3 SMILES: CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1 CHARGE: 0 FORMULA: C4H5OSR CHARGE: 0 FORMULA: C4H7O2SR CHARGE: 0 FORMULA: C10H19O2SR CHARGE: 0 FORMULA: C8H15O2SR CHARGE: 0 FORMULA: C16H31O2SR CHARGE: 0 FORMULA: C9H13N5O4 SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C13H25NO2S2 SMILES: CCC(C)C(=O)SCCC(S)CCCCC(N)=O CHARGE: 0 FORMULA: C13H25NO2S2 SMILES: CC(C)CC(=O)SCCC(S)CCCCC(N)=O CHARGE: -4 FORMULA: C37H62N7O18P3S SMILES: CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H58N7O18P3S SMILES: CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H54N7O18P3S SMILES: CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H50N7O18P3S SMILES: CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C29H50N7O18P3S SMILES: CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C29H48N7O18P3S SMILES: CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H46N7O18P3S SMILES: CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H44N7O18P3S SMILES: CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O17P3S SMILES: CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O17P3S SMILES: CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C29H48N7O17P3S SMILES: CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -3 FORMULA: C6H3O7 SMILES: [O-]C(=O)CC(C([O-])=O)C(=O)C([O-])=O CHARGE: -3 FORMULA: C6H3O7 SMILES: [O-]C(=O)CC(C([O-])=O)C(=O)C([O-])=O CHARGE: -3 FORMULA: C6H3O7 SMILES: [O-]C(=O)CC(C([O-])=O)C(=O)C([O-])=O CHARGE: -3 FORMULA: C16H21N4O10P2S SMILES: Cc1ncc(C[n+]2c(C)c(CCOP(O)(=O)OP(O)(O)=O)sc2C(O)CCC(O)=O)c(N)n1 CHARGE: 0 FORMULA: C6H10O6 SMILES: OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O CHARGE: -2 FORMULA: C12H21O14P CHARGE: 0 FORMULA: C9H18O8 SMILES: [H][C@@](O)(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CHARGE: 0 FORMULA: C12H20O11 CHARGE: -4 FORMULA: C48H76N7O21P3S SMILES: [H][C@@](C)(CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: 0 FORMULA: C6H9NO5 SMILES: NC(C(O)=O)C(=O)CCC(O)=O CHARGE: -1 FORMULA: HO3S2 SMILES: [H]OS([S-])(=O)=O CHARGE: 0 FORMULA: C7H6O3 SMILES: [H]C(=O)c1cc(O)ccc1O CHARGE: 0 FORMULA: C9H13N3O5 CHARGE: 0 FORMULA: C4H5O2SR CHARGE: 0 FORMULA: C4H7OSR SMILES: CCCC(=O)S[*] CHARGE: 0 FORMULA: C6H9O2SR CHARGE: 0 FORMULA: C6H11O2SR CHARGE: 0 FORMULA: C6H9OSR CHARGE: 0 FORMULA: C6H11OSR SMILES: CCCCCC(=O)S[*] CHARGE: 0 FORMULA: C8H13O2SR CHARGE: 0 FORMULA: C8H13OSR CHARGE: 0 FORMULA: C8H15OSR SMILES: CCCCCCCC(=O)S[*] CHARGE: 0 FORMULA: C10H17O2SR CHARGE: 0 FORMULA: C10H17OSR CHARGE: 0 FORMULA: C10H19OSR SMILES: CCCCCCCCCC(=O)S[*] CHARGE: 0 FORMULA: C12H21O2SR CHARGE: 0 FORMULA: C12H23O2SR CHARGE: 0 FORMULA: C12H21OSR CHARGE: 0 FORMULA: C14H25O2SR CHARGE: 0 FORMULA: C16H29O2SR CHARGE: -8 FORMULA: C40H36N4O16 SMILES: [O-]C(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC([O-])=O)c(CCC([O-])=O)c5CC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O CHARGE: -4 FORMULA: C36H40N4O8 SMILES: Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(C)c5CCC([O-])=O)c(C)c4CCC([O-])=O)c(C)c3CCC([O-])=O CHARGE: 0 FORMULA: C10H18N5O15P3 CHARGE: 0 FORMULA: C10H18N5O15P3 CHARGE: -4 FORMULA: C9H14N5O14P3 SMILES: Nc1nc(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1 CHARGE: -4 FORMULA: C9H14N5O14P3 SMILES: Nc1nc(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1 CHARGE: 0 FORMULA: C13H18N5O8P CHARGE: 0 FORMULA: C13H18N5O8P CHARGE: -1 FORMULA: C12H15N5O8P SMILES: CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C8H13N3O3 CHARGE: 0 FORMULA: C9H18N5O14P3 CHARGE: 0 FORMULA: C9H18N5O14P3 CHARGE: -1 FORMULA: C13H22NO4S2 SMILES: NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O CHARGE: 0 FORMULA: C12H17O10. Na CHARGE: 0 FORMULA: C12H17O10. Na CHARGE: 0 FORMULA: CH3 CHARGE: -2 FORMULA: C4H10NO4P SMILES: CN(C)CCOP(O)(O)=O CHARGE: 0 FORMULA: C43H76O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C43H76O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C43H74O2 CHARGE: 0 FORMULA: C45H80O2 SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C45H80O2 SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C45H78O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C45H78O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C45H76O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C45H76O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C45H74O2 CHARGE: 0 FORMULA: C45H74O2 CHARGE: 0 FORMULA: C47H76O2 CHARGE: 0 FORMULA: C47H76O2 CHARGE: 0 FORMULA: C18H33O2SR CHARGE: 0 FORMULA: C18H35O2SR CHARGE: 0 FORMULA: C18H33OSR CHARGE: -1 FORMULA: C20H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O CHARGE: 0 FORMULA: C28H46O SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@H]2C CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H2 CHARGE: 0 FORMULA: SO3 CHARGE: -1 FORMULA: C11H18N3O7S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -8 FORMULA: C49H69N13O30 CHARGE: 0 FORMULA: C1779H3237N455O877S14 CHARGE: 0 FORMULA: C36H64N2O16 CHARGE: 0 FORMULA: C36H64N2O16 CHARGE: 0 FORMULA: C50H87N3O26 CHARGE: 0 FORMULA: C56H97N3O31 CHARGE: 2 FORMULA: Zn SMILES: [Zn++] CHARGE: 2 FORMULA: Zn SMILES: [Zn++] CHARGE: -1 FORMULA: C12H23O2 SMILES: CCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O3 SMILES: OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O3 SMILES: OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O6 SMILES: CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H33O6 SMILES: CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C24H39O3 SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C24H39O3 SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H44NO5S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H44NO5S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H42NO4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H42NO4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C24H40O4 CHARGE: 0 FORMULA: C24H40O4 CHARGE: 0 FORMULA: C26H45NO6S CHARGE: 0 FORMULA: C26H45NO6S CHARGE: 0 FORMULA: C26H42NO5 CHARGE: 0 FORMULA: C26H42NO5 CHARGE: -2 FORMULA: C26H41NO7S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O CHARGE: -2 FORMULA: C26H41NO7S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O CHARGE: -2 FORMULA: C26H43NO8S2 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O CHARGE: -2 FORMULA: C26H43NO8S2 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O CHARGE: 0 FORMULA: C16H28N4O8S CHARGE: 0 FORMULA: C16H28N4O8S CHARGE: 0 FORMULA: C16H19N5O10S SMILES: N[C@@H](CCC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O CHARGE: 0 FORMULA: C16H19N5O10S SMILES: N[C@@H](CCC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O CHARGE: 0 FORMULA: C23H27Cl2N3O10S CHARGE: 0 FORMULA: C23H27Cl2N3O10S CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: 0 FORMULA: C20H30O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C20H30O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1 CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1 CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1 CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1 CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H29O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H29O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O CHARGE: 0 FORMULA: C20H30O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C20H30O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H35O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O CHARGE: -1 FORMULA: C20H35O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O CHARGE: -1 FORMULA: C20H33O5 SMILES: [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@@H](C[C@H]1O)O)C/C=C\CCCC(O)=O CHARGE: -1 FORMULA: C20H33O5 SMILES: [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@@H](C[C@H]1O)O)C/C=C\CCCC(O)=O CHARGE: -1 FORMULA: C20H31O6 SMILES: CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O6 SMILES: CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C24H40O7S CHARGE: 0 FORMULA: C24H40O7S CHARGE: 0 FORMULA: C16H30O CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C23H43NO4 SMILES: CCCCCC\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C25H45NO4 SMILES: CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C25H45NO4 SMILES: CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C39H66N7O17P3S SMILES: CCCCCC\C=C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C39H68N7O18P3S CHARGE: 0 FORMULA: C39H66N7O18P3S CHARGE: 0 FORMULA: C10H17NO6 SMILES: C[N+](C)(C)CC(CC([O-])=O)OC(=O)CC(O)=O CHARGE: 0 FORMULA: C10H17NO6 SMILES: C[N+](C)(C)CC(CC([O-])=O)OC(=O)CC(O)=O CHARGE: 0 FORMULA: C10H17NO6 SMILES: C[N+](C)(C)CC(CC([O-])=O)OC(=O)CC(O)=O CHARGE: 0 FORMULA: C10H17NO6 SMILES: C[N+](C)(C)CC(CC([O-])=O)OC(=O)CC(O)=O CHARGE: 0 FORMULA: C6H11NO3 SMILES: [H]C(=O)CCC[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H11NO3 SMILES: [H]C(=O)CCC[C@H](N)C(O)=O CHARGE: -1 FORMULA: C6H10NO4 SMILES: [NH3+][C@@H](CCCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C6H10NO4 SMILES: [NH3+][C@@H](CCCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C9H6NO4 SMILES: [H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C([O-])=O CHARGE: -1 FORMULA: C9H6NO4 SMILES: [H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C([O-])=O CHARGE: -1 FORMULA: C3H6NO5S SMILES: [NH3+][C@@H](CS([O-])(=O)=O)C([O-])=O CHARGE: -1 FORMULA: C3H6NO5S SMILES: [NH3+][C@@H](CS([O-])(=O)=O)C([O-])=O CHARGE: 0 FORMULA: C6H12N2O4S2 SMILES: N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O CHARGE: 0 FORMULA: C6H12N2O4S2 SMILES: N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O CHARGE: 0 FORMULA: C11H12N2O4 SMILES: [H]C(=O)Nc1ccccc1C(=O)C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C10H12N2O3 SMILES: N[C@@H](CC(=O)c1ccccc1N)C(O)=O CHARGE: 0 FORMULA: C10H12N2O3 SMILES: N[C@@H](CC(=O)c1ccccc1N)C(O)=O CHARGE: 0 FORMULA: C6H11NO2 SMILES: OC(=O)[C@@H]1CCCCN1 CHARGE: 2 FORMULA: C9H23N3O SMILES: CC(=O)NCCC[NH2+]CCCC[NH3+] CHARGE: 2 FORMULA: C9H23N3O SMILES: CC(=O)NCCC[NH2+]CCCC[NH3+] CHARGE: 3 FORMULA: C12H31N4O SMILES: CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] CHARGE: 3 FORMULA: C12H31N4O SMILES: CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] CHARGE: -2 FORMULA: C6H7NO5 SMILES: N(C(=O)C)[C@@H](CC([O-])=O)C(=O)[O-] CHARGE: -2 FORMULA: C6H7NO5 SMILES: N(C(=O)C)[C@@H](CC([O-])=O)C(=O)[O-] CHARGE: 0 FORMULA: C12H14N2O2 SMILES: CC(=O)NCCc1c[nH]c2ccc(O)cc12 CHARGE: 0 FORMULA: C9H17N3O2R2 SMILES: CN(C)CCCC[C@H](NC([*])=O)C(=O)N[*] CHARGE: 0 FORMULA: C8H15N3O2R2 CHARGE: 1 FORMULA: C10H20N3O2R2 SMILES: C[N+](C)(C)CCCC[C@H](NC([*])=O)C(=O)N[*] CHARGE: 1 FORMULA: C10H20N3O2R2 SMILES: C[N+](C)(C)CCCC[C@H](NC([*])=O)C(=O)N[*] CHARGE: 0 FORMULA: C41H74N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C39H70N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C33H58N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C45H82N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: -1 FORMULA: C16O2H31 NON_SPECIFIC_FORMULA: CO2R SMILES: [O-]C([*])=O CHARGE: -1 FORMULA: C16O2H31 NON_SPECIFIC_FORMULA: CO2R SMILES: [O-]C([*])=O CHARGE: -1 FORMULA: C16O2H31 NON_SPECIFIC_FORMULA: CO2R SMILES: [O-]C([*])=O CHARGE: -1 FORMULA: C16O2H31 NON_SPECIFIC_FORMULA: CO2R SMILES: [O-]C([*])=O CHARGE: 0 FORMULA: C37H66N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C37H66N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C37H66N7O17P3S NON_SPECIFIC_FORMULA: C22H35N7O17P3SR SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHARGE: 0 FORMULA: C23H45NO4 NON_SPECIFIC_FORMULA: C8H14NO4R SMILES: C[N+](C)(C)C[C@@H](CC([O-])=O)OC([*])=O CHARGE: 0 FORMULA: C23H45NO4 NON_SPECIFIC_FORMULA: C8H14NO4R SMILES: C[N+](C)(C)C[C@@H](CC([O-])=O)OC([*])=O CHARGE: 0 FORMULA: C3H5NO2 CHARGE: 0 FORMULA: C3H5NO2 CHARGE: 0 FORMULA: C3H5NO2 CHARGE: 0 FORMULA: C3H5NO2 CHARGE: -1 FORMULA: C11H16N3O7S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C30H50O SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C CHARGE: -1 FORMULA: C9H7O3 SMILES: Oc1ccc(cc1)\C=C\C([O-])=O CHARGE: -1 FORMULA: C9H7O3 SMILES: Oc1ccc(cc1)\C=C\C([O-])=O CHARGE: 0 FORMULA: C61H100N10O40 CHARGE: 0 FORMULA: C55H90N10O35 CHARGE: 0 FORMULA: C55H90N10O35 CHARGE: 0 FORMULA: C1731H3157N455O837S14 CHARGE: 0 FORMULA: C1731H3157N455O837S14 CHARGE: -4 FORMULA: C25H36N7O18P3S SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H36N7O18P3S SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H36N7O18P3S SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C3H8NO SMILES: CC(=O)C[NH3+] CHARGE: 1 FORMULA: C3H8NO SMILES: CC(=O)C[NH3+] CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)C(O)[C@@H](O)CO CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)C(O)[C@@H](O)CO CHARGE: 0 FORMULA: C2H3OSR SMILES: CC(=O)S[*] CHARGE: -1 FORMULA: C2H3O2 SMILES: CC([O-])=O CHARGE: -1 FORMULA: C2H3O2 SMILES: CC([O-])=O CHARGE: -1 FORMULA: C2H3O2 SMILES: CC([O-])=O CHARGE: -1 FORMULA: C2H3O2 SMILES: CC([O-])=O CHARGE: -1 FORMULA: C2H3O2 SMILES: CC([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(=O)CC([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(=O)CC([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(=O)CC([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(=O)CC([O-])=O CHARGE: 0 FORMULA: C2H4O SMILES: [H]C(C)=O CHARGE: 0 FORMULA: C2H4O SMILES: [H]C(C)=O CHARGE: 0 FORMULA: C2H4O SMILES: [H]C(C)=O CHARGE: 0 FORMULA: C2H4O SMILES: [H]C(C)=O CHARGE: 0 FORMULA: C2H4O SMILES: [H]C(C)=O CHARGE: -4 FORMULA: C23H34N7O17P3S SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C23H34N7O17P3S SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C23H34N7O17P3S SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C23H34N7O17P3S SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C23H34N7O17P3S SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C23H34N7O17P3S SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C3H6O2 SMILES: CC(=O)CO CHARGE: 0 FORMULA: C3H6O SMILES: CC(C)=O CHARGE: 0 FORMULA: C3H6O SMILES: CC(C)=O CHARGE: 0 FORMULA: C3H6O SMILES: CC(C)=O CHARGE: -3 FORMULA: C7H9NO8P SMILES: CC(=O)N[C@@H](CCC(=O)OP([O-])([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C7H10NO4 SMILES: CC(=O)N[C@@H](CCC=O)C([O-])=O CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R CHARGE: -2 FORMULA: C8H14NO9P SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(O)=O CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C94H166N4O46 NON_SPECIFIC_FORMULA: C79H135N4O46R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C94H166N4O46 NON_SPECIFIC_FORMULA: C79H135N4O46R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C94H166N4O46 NON_SPECIFIC_FORMULA: C79H135N4O46R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C108H189N5O56 NON_SPECIFIC_FORMULA: C93H158N5O56R CHARGE: 0 FORMULA: C108H189N5O56 NON_SPECIFIC_FORMULA: C93H158N5O56R CHARGE: 0 FORMULA: C108H189N5O56 NON_SPECIFIC_FORMULA: C93H158N5O56R CHARGE: 0 FORMULA: C88H156N4O42 NON_SPECIFIC_FORMULA: C73H125N4O42R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C74H133N3O32 NON_SPECIFIC_FORMULA: C59H102N3O32R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: -2 FORMULA: C8H14NO9P SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O CHARGE: -2 FORMULA: C8H14NO9P SMILES: CC(=O)N[C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C8H15NO6 SMILES: [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C8H15NO6 SMILES: [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C8H15NO6 SMILES: [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C8H15NO6 SMILES: [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R CHARGE: 0 FORMULA: C82H146N4O38 NON_SPECIFIC_FORMULA: C67H115N4O38R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C68H123N3O28 NON_SPECIFIC_FORMULA: C53H92N3O28R SMILES: CCCCCCCCCCCCC\C=C\[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C82H146N4O38 NON_SPECIFIC_FORMULA: C67H115N4O38R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C74H133N3O33 NON_SPECIFIC_FORMULA: C59H102N3O33R CHARGE: 0 FORMULA: C54H100N2O18 NON_SPECIFIC_FORMULA: C39H69N2O18R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O CHARGE: -2 FORMULA: C7H9NO5 SMILES: C(C([O-])=O)C[C@@H](C([O-])=O)NC(=O)C CHARGE: -1 FORMULA: C49H91NO18P NON_SPECIFIC_FORMULA: C34H60NO18PR SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O CHARGE: 1 FORMULA: C7H16NO2 SMILES: CC(=O)OCC[N+](C)(C)C CHARGE: 1 FORMULA: C7H16NO2 SMILES: CC(=O)OCC[N+](C)(C)C CHARGE: 1 FORMULA: C7H16NO2 SMILES: CC(=O)OCC[N+](C)(C)C CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO CHARGE: -2 FORMULA: C8H14NO9P SMILES: [H][C@@](O)(COP([O-])([O-])=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(NC(C)=O)C=O CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -2 FORMULA: C88H152N4O44 NON_SPECIFIC_FORMULA: C73H121N4O44R CHARGE: -1 FORMULA: C11H18NO9 SMILES: [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -1 FORMULA: C11H18NO9 SMILES: [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -1 FORMULA: C11H18NO9 SMILES: [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -3 FORMULA: C11H17NO12P SMILES: [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O CHARGE: 0 FORMULA: C71H127N3O31 NON_SPECIFIC_FORMULA: C56H96N3O31R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -1 FORMULA: C85H149N4O41 NON_SPECIFIC_FORMULA: C70H118N4O41R CHARGE: -1 FORMULA: C85H149N4O41 NON_SPECIFIC_FORMULA: C70H118N4O41R CHARGE: -1 FORMULA: C85H149N4O41 NON_SPECIFIC_FORMULA: C70H118N4O41R CHARGE: -1 FORMULA: C71H126N3O31 NON_SPECIFIC_FORMULA: C56H95N3O31R CHARGE: -1 FORMULA: C77H136N3O36 NON_SPECIFIC_FORMULA: C62H105N3O36R CHARGE: 0 FORMULA: C7H14N2O3 SMILES: CC(=O)N[C@@H](CCCN)C(O)=O CHARGE: 0 FORMULA: C9H17NO4 SMILES: CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C9H17NO4 SMILES: CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C9H17NO4 SMILES: CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C9H17NO4 SMILES: CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C3H4O2 SMILES: [O-]C(=O)C=C CHARGE: 0 FORMULA: C5H5N5 SMILES: Nc1ncnc2[nH]cnc12 CHARGE: 0 FORMULA: C5H5N5 SMILES: Nc1ncnc2[nH]cnc12 CHARGE: 0 FORMULA: C5H5N5 SMILES: Nc1ncnc2[nH]cnc12 CHARGE: -2 FORMULA: C19H35O7P NON_SPECIFIC_FORMULA: C4H4O7PR CHARGE: -2 FORMULA: C19H35O7P NON_SPECIFIC_FORMULA: C4H4O7PR CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C72H100CoN18O17P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: 0 FORMULA: C72H100CoN18O17P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: 0 FORMULA: C72H100CoN18O17P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C6H8O4 SMILES: OC(=O)CCCCC(O)=O CHARGE: -2 FORMULA: C6H8O4 SMILES: OC(=O)CCCCC(O)=O CHARGE: -5 FORMULA: C27H39N7O19P3S SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O CHARGE: -5 FORMULA: C27H39N7O19P3S SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O CHARGE: -2 FORMULA: C16H23N5O15P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C16H23N5O15P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C15H20N5O17P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP([O-])([O-])=O CHARGE: -4 FORMULA: C15H20N5O17P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP([O-])([O-])=O CHARGE: -2 FORMULA: C15H21N5O14P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C15H21N5O14P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C15H21N5O14P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C22H35O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: -1 FORMULA: C22H35O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: -1 FORMULA: C22H35O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: -4 FORMULA: C43H66N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H66N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H66N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C29H49NO4 CHARGE: 0 FORMULA: C29H49NO4 CHARGE: 1 FORMULA: C9H14NO3 SMILES: CNCC(O)c1ccc(O)c(O)c1 CHARGE: 1 FORMULA: C9H14NO3 SMILES: CNCC(O)c1ccc(O)c(O)c1 CHARGE: -2 FORMULA: C10H12N5O10PSe SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C17H12O6 SMILES: [H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 CHARGE: 0 FORMULA: C17H12O6 SMILES: [H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 CHARGE: 2 FORMULA: C5H16N4 SMILES: NC(=[NH2+])NCCCC[NH3+] CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5S SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5S SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5S SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5S SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5S SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: -4 FORMULA: C9H12N5O13P3 SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -4 FORMULA: C9H12N5O13P3 SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -4 FORMULA: C9H12N5O13P3 SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -2 FORMULA: C9H13N4O8P SMILES: NC(=O)c1ncn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c1N CHARGE: -2 FORMULA: C9H13N4O8P SMILES: NC(=O)c1ncn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c1N CHARGE: -2 FORMULA: C8H12N3O7P SMILES: Nc1c[nH+]cn1C1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C19H37O4R NON_SPECIFIC_FORMULA: C4H6O4R2 SMILES: OC[C@@H](CO[*])OC([*])=O CHARGE: 0 FORMULA: C24H49NO7PR NON_SPECIFIC_FORMULA: C9H18NO7PR2 SMILES: C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](CO[*])OC([*])=O CHARGE: -2 FORMULA: C19H36O7PR NON_SPECIFIC_FORMULA: C4H5O7PR2 SMILES: [O-]P([O-])(=O)OC[C@@H](CO[*])OC([*])=O CHARGE: 0 FORMULA: C21H43NO7PR NON_SPECIFIC_FORMULA: C6H12NO7PR2 SMILES: [NH3+]CCOP([O-])(=O)OCC(CO[*])OC([*])=O CHARGE: 0 FORMULA: C8H19NO6PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO[*] CHARGE: 0 FORMULA: C8H19NO6PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO[*] CHARGE: 0 FORMULA: C3H8O6PR SMILES: O[C@H](CO[*])COP(O)(O)=O CHARGE: 0 FORMULA: C3H8O6PR SMILES: O[C@H](CO[*])COP(O)(O)=O CHARGE: -2 FORMULA: C5H4O5 SMILES: [O-]C(=O)CCC(=O)C([O-])=O CHARGE: -2 FORMULA: C5H4O5 SMILES: [O-]C(=O)CCC(=O)C([O-])=O CHARGE: -2 FORMULA: C5H4O5 SMILES: [O-]C(=O)CCC(=O)C([O-])=O CHARGE: -2 FORMULA: C5H4O5 SMILES: [O-]C(=O)CCC(=O)C([O-])=O CHARGE: -2 FORMULA: C5H4O5 SMILES: [O-]C(=O)CCC(=O)C([O-])=O CHARGE: -2 FORMULA: C3H4O6PR SMILES: [O-]P([O-])(=O)OCC(=O)CO[*] CHARGE: 0 FORMULA: C3H7NO2 SMILES: NCCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: NCCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: NCCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H12N2O3 SMILES: C[C@@H](N)C(=O)N[C@H](C)C(O)=O CHARGE: 0 FORMULA: C6H12N2O3 SMILES: C[C@@H](N)C(=O)N[C@H](C)C(O)=O CHARGE: 0 FORMULA: C21H28O5 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO CHARGE: 0 FORMULA: C21H28O5 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO CHARGE: 0 FORMULA: C21H28O5 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO CHARGE: 0 FORMULA: C4H6N4O3 SMILES: NC(=O)NC1NC(=O)NC1=O CHARGE: -1 FORMULA: C4H7N4O4 SMILES: NC(=O)NC(NC(N)=O)C([O-])=O CHARGE: 0 FORMULA: C19H39O7P NON_SPECIFIC_FORMULA: C4H8O7PR SMILES: OCC(COP(O)(O)=O)OC([*])=O CHARGE: 0 FORMULA: C19H39O7P NON_SPECIFIC_FORMULA: C4H8O7PR SMILES: OCC(COP(O)(O)=O)OC([*])=O CHARGE: 1 FORMULA: C9H21N2OS2 SMILES: NCSCCC(S)CCCCC(N)=O CHARGE: 0 FORMULA: C9H19N2OS2R CHARGE: 0 FORMULA: C6H7NO3 SMILES: [H]C(=O)\C=C/C=C(/N)C([O-])=O CHARGE: 1 FORMULA: C15H23N6O5S SMILES: C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C15H23N6O5S SMILES: C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C15H23N6O5S SMILES: C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C15H23N6O5S SMILES: C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 2 FORMULA: C14H24N6O3S SMILES: C[S+](CCC[NH3+])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C6H6NO4 SMILES: N\C(=C/C=C/C([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C19H26O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H26O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H26O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: C7H6NO2 SMILES: Nc1ccccc1C([O-])=O CHARGE: -1 FORMULA: C7H6NO2 SMILES: Nc1ccccc1C([O-])=O CHARGE: 0 FORMULA: C11H12N2O SMILES: Cc1cc(=O)n(-c2ccccc2)n1C CHARGE: 0 FORMULA: C11H12N2O SMILES: Cc1cc(=O)n(-c2ccccc2)n1C CHARGE: -4 FORMULA: C20H24N10O19P4 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H16O SMILES: CC1(C)C2CC3OC3(C)C1C2 CHARGE: 0 FORMULA: C10H16O SMILES: CC1(C)C2CC3OC3(C)C1C2 CHARGE: 0 FORMULA: C16H27N4O3S CHARGE: 0 FORMULA: C16H27N4O3S CHARGE: 0 FORMULA: C6H13N2O CHARGE: 0 FORMULA: C6H13N2O CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: H CHARGE: 0 FORMULA: C10H16 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C CHARGE: 0 FORMULA: C10H16 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O CHARGE: 1 FORMULA: C6H15N2O SMILES: CC(=O)NCCCC[NH3+] CHARGE: -2 FORMULA: C10H12N5O10PS SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](O)[C@H]1O CHARGE: 4 FORMULA: C62H93CoN13O15P SMILES: [H][O+]([H])[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O CHARGE: 4 FORMULA: C62H93CoN13O15P SMILES: [H][O+]([H])[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O CHARGE: 0 FORMULA: C5H10O5 CHARGE: 0 FORMULA: C5H10O5 CHARGE: -1 FORMULA: C20H39O2 SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H39O2 SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H39O2 SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H39O2 SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H53NO4 CHARGE: 0 FORMULA: C27H53NO4 CHARGE: -1 FORMULA: C20H31O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H45NO4 CHARGE: 0 FORMULA: C27H45NO4 CHARGE: 0 FORMULA: C27H45NO4 CHARGE: 0 FORMULA: C27H45NO4 CHARGE: 1 FORMULA: C6H15N4O2 SMILES: NC(=[NH2+])NCCC[C@@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N4O2 SMILES: NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N4O2 SMILES: NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N4O2 SMILES: NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N4O2 SMILES: NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O CHARGE: -1 FORMULA: C10H17N4O6 SMILES: [NH3+][C@@H](CCCNC(=[NH2+])NC(CC([O-])=O)C([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C6H7O6 SMILES: [H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO CHARGE: -1 FORMULA: C6H7O6 SMILES: [H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO CHARGE: 0 FORMULA: C4H8N2O3 SMILES: N[C@@H](CC(N)=O)C(O)=O CHARGE: 0 FORMULA: C4H8N2O3 SMILES: N[C@@H](CC(N)=O)C(O)=O CHARGE: 0 FORMULA: C4H8N2O3 SMILES: N[C@@H](CC(N)=O)C(O)=O CHARGE: 0 FORMULA: C4H8N2O3 SMILES: N[C@@H](CC(N)=O)C(O)=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@@H](CC([O-])=O)C([O-])=O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C29H50O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C29H50O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C29H50O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C29H44O2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C29H44O2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C29H44O2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: -4 FORMULA: C25H36N7O17P3S SMILES: C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H36N7O17P3S SMILES: C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C3H8NO SMILES: [H]C(=O)CCN CHARGE: 1 FORMULA: C3H8NO SMILES: [H]C(=O)CCN CHARGE: 0 FORMULA: C15H18O8 SMILES: OC[C@H]1O[C@@H](Oc2ccccc2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 1 FORMULA: C5H12NO SMILES: [H]C(=O)C[N+](C)(C)C CHARGE: 1 FORMULA: C5H12NO SMILES: [H]C(=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C1200000H2200000O1100000 CHARGE: -1 FORMULA: C9H8NO3 SMILES: [O-]C(=O)CNC(=O)c1ccccc1 CHARGE: -1 FORMULA: C4H7O3 SMILES: C[C@@H](O)CC([O-])=O CHARGE: -1 FORMULA: C4H7O3 SMILES: C[C@@H](O)CC([O-])=O CHARGE: -1 FORMULA: C4H7O3 SMILES: C[C@@H](O)CC([O-])=O CHARGE: -2 FORMULA: C45H50N4O18 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: -2 FORMULA: C45H50N4O18 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: -2 FORMULA: C45H50N4O18 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: 0 FORMULA: C39H44N4O12 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: 0 FORMULA: C39H44N4O12 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: 0 FORMULA: C39H44N4O12 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: -2 FORMULA: C33H34N4O6 SMILES: CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C)c2CCC([O-])=O)c(CCC([O-])=O)c1C CHARGE: -2 FORMULA: C33H34N4O6 SMILES: CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C)c2CCC([O-])=O)c(CCC([O-])=O)c1C CHARGE: -2 FORMULA: C33H34N4O6 SMILES: CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C)c2CCC([O-])=O)c(CCC([O-])=O)c1C CHARGE: -2 FORMULA: C33H32N4O6 SMILES: CC1=C(CCC([O-])=O)\C(/N=C1/C=C1NC(=O)C(C=C)=C/1C)=C\c1[nH]c(\C=C2NC(=O)C(C)=C/2C=C)c(C)c1CCC([O-])=O CHARGE: 0 FORMULA: C16H28N4O4S SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 CHARGE: 0 FORMULA: C16H28N4O4S SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 CHARGE: 0 FORMULA: C16H28N4O4S SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 CHARGE: 0 FORMULA: C16H28N4O4S SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C20H27N7O9PS SMILES: [H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C20H27N7O9PS SMILES: [H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 CHARGE: -4 FORMULA: C25H38N7O17P3S SMILES: CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H38N7O17P3S SMILES: CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C25H38N7O17P3S SMILES: CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C10H15N2O3S SMILES: [H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C10H15N2O3S SMILES: [H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C10H15N2O3S SMILES: [H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C10H15N2O3S SMILES: [H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C4H7O2 SMILES: CCCC([O-])=O CHARGE: -1 FORMULA: C4H7O2 SMILES: CCCC([O-])=O CHARGE: -1 FORMULA: C4H7O2 SMILES: CCCC([O-])=O CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 CHARGE: -1 FORMULA: C7H5O2 SMILES: [O-]C(=O)c1ccccc1 CHARGE: -1 FORMULA: C7H5O2 SMILES: [O-]C(=O)c1ccccc1 CHARGE: -1 FORMULA: C7H5O2 SMILES: [O-]C(=O)c1ccccc1 CHARGE: -4 FORMULA: C31H48N7O17P3S CHARGE: 0 FORMULA: C17H31NO4 CHARGE: 0 FORMULA: C17H31NO4 CHARGE: 0 FORMULA: C17H33NO4 SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O CHARGE: 0 FORMULA: C17H33NO4 SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O CHARGE: -1 FORMULA: C17H30NO6 CHARGE: -1 FORMULA: C17H30NO6 CHARGE: -1 FORMULA: C17H30NO6 CHARGE: -1 FORMULA: C19H34NO6 CHARGE: -1 FORMULA: C19H34NO6 CHARGE: -1 FORMULA: C19H34NO6 CHARGE: -5 FORMULA: C33H51N7O19P3S CHARGE: -5 FORMULA: C33H51N7O19P3S CHARGE: -5 FORMULA: C35H55N7O19P3S CHARGE: -1 FORMULA: C23H42NO6 CHARGE: -1 FORMULA: C23H42NO6 CHARGE: -4 FORMULA: C43H62N7O17P3S SMILES: C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)(=O)* CHARGE: -4 FORMULA: C43H62N7O17P3S SMILES: C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)(=O)* CHARGE: -4 FORMULA: C43H62N7O17P3S SMILES: C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)(=O)* CHARGE: 0 FORMULA: C29H45NO4 CHARGE: 0 FORMULA: C29H45NO4 CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -1 FORMULA: C10H16NO6 CHARGE: -1 FORMULA: C10H16NO6 CHARGE: 0 FORMULA: C11H21NO4 SMILES: CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C11H21NO4 SMILES: CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C11H21NO4 SMILES: CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C11H21NO4 SMILES: CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C11H18NO6 CHARGE: -1 FORMULA: C11H18NO6 CHARGE: -1 FORMULA: C11H18NO6 CHARGE: 0 FORMULA: C12H21NO4 CHARGE: 0 FORMULA: C12H21NO4 CHARGE: 0 FORMULA: C12H21NO6 CHARGE: 0 FORMULA: C12H21NO6 CHARGE: 0 FORMULA: C13H25NO4 SMILES: C(OC(CCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] CHARGE: 0 FORMULA: C13H25NO4 SMILES: C(OC(CCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] CHARGE: 0 FORMULA: C13H25NO4 SMILES: C(OC(CCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] CHARGE: -1 FORMULA: C13H22NO6 CHARGE: -1 FORMULA: C13H22NO6 CHARGE: -1 FORMULA: C13H22NO6 CHARGE: 0 FORMULA: C29H48N7O17P3S SMILES: CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C15H27NO4 CHARGE: 0 FORMULA: C15H27NO4 CHARGE: 0 FORMULA: C15H29NO4 SMILES: CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C15H29NO4 SMILES: CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C15H26NO6 CHARGE: -1 FORMULA: C15H26NO6 CHARGE: -1 FORMULA: C15H26NO6 CHARGE: 2 FORMULA: Ca SMILES: [Ca++] CHARGE: 2 FORMULA: Ca SMILES: [Ca++] CHARGE: -1 FORMULA: C4H7N2O3 SMILES: NC(=O)NCCC([O-])=O CHARGE: -1 FORMULA: C10H11N5O6P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: -1 FORMULA: C10H11N5O6P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: -1 FORMULA: C10H11N5O6P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: 0 FORMULA: C9H14N4O3 SMILES: NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C9H14N4O3 SMILES: NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C9H14N4O3 SMILES: NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C40H56 SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C40H56 SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C10H16O SMILES: CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1 CHARGE: 0 FORMULA: C10H16O SMILES: CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1 CHARGE: -2 FORMULA: C5H6N2O5 SMILES: NC(=O)N[C@@H](CC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C5H6N2O5 SMILES: NC(=O)N[C@@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C62CoH88N13O14P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-4]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: 4 FORMULA: C62H92CoN13O14P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: 4 FORMULA: C62H92CoN13O14P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: -2 FORMULA: CH2NO5P SMILES: NC(=O)OP([O-])([O-])=O CHARGE: -2 FORMULA: CH2NO5P SMILES: NC(=O)OP([O-])([O-])=O CHARGE: -2 FORMULA: CH2NO5P SMILES: NC(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C9H12N3O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -3 FORMULA: C9H12N3O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -3 FORMULA: C9H12N3O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -3 FORMULA: C9H12N3O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -1 FORMULA: C14H25N4O11P2 SMILES: C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O CHARGE: -1 FORMULA: C14H25N4O11P2 SMILES: C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O CHARGE: -2 FORMULA: C44H79N3O15P2 NON_SPECIFIC_FORMULA: C29H48N3O15P2R SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C44H79N3O15P2 NON_SPECIFIC_FORMULA: C14H17N3O15P2R2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -1 FORMULA: C11H19N4O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -1 FORMULA: C11H19N4O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C5H10N2O3S SMILES: N[C@@H](CS)C(=O)NCC(O)=O CHARGE: 0 FORMULA: C5H10N2O3S SMILES: N[C@@H](CS)C(=O)NCC(O)=O CHARGE: 0 FORMULA: CH4S SMILES: CS CHARGE: 0 FORMULA: C36H64N2O17P2 NON_SPECIFIC_FORMULA: C36H64N2O17P2(C5H8)n CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: -1 FORMULA: C24H39O5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C24H39O5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -4 FORMULA: C45H70N7O20P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C45H70N7O20P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C45H70N7O20P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C45H70N7O20P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H74N7O20P3S SMILES: [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H74N7O20P3S SMILES: [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H74N7O21P3S SMILES: [H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H76N7O20P3S SMILES: [H][C@@](C)(CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H76N7O20P3S SMILES: [H][C@@](C)(CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H76N7O20P3S SMILES: [H][C@@](C)(CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -4 FORMULA: C48H76N7O20P3S SMILES: [H][C@@](C)(CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C5H13NO4P SMILES: C[N+](C)(C)CCOP([O-])([O-])=O CHARGE: -1 FORMULA: C5H13NO4P SMILES: C[N+](C)(C)CCOP([O-])([O-])=O CHARGE: -1 FORMULA: C5H13NO4P SMILES: C[N+](C)(C)CCOP([O-])([O-])=O CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: -1 FORMULA: C27H45O4S SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C CHARGE: -1 FORMULA: C27H45O4S SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C CHARGE: -1 FORMULA: C27H45O4S SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C CHARGE: -1 FORMULA: C27H45O4S SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: H41O16C24N3 NON_SPECIFIC_FORMULA: H2O(C8H13NO5)n CHARGE: 0 FORMULA: H41O16C24N3 NON_SPECIFIC_FORMULA: H2O(C8H13NO5)n CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O CHARGE: -5 FORMULA: C26H37N7O20P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@](C)(O)C([O-])=O CHARGE: 0 FORMULA: C6H13N3O3 SMILES: N[C@@H](CCCNC(N)=O)C(O)=O CHARGE: 0 FORMULA: C6H13N3O3 SMILES: N[C@@H](CCCNC(N)=O)C(O)=O CHARGE: 0 FORMULA: C6H13N3O3 SMILES: N[C@@H](CCCNC(N)=O)C(O)=O CHARGE: -1 FORMULA: Cl SMILES: [Cl-] CHARGE: -1 FORMULA: Cl SMILES: [Cl-] CHARGE: -1 FORMULA: Cl SMILES: [Cl-] CHARGE: -1 FORMULA: Cl SMILES: [Cl-] CHARGE: 0 FORMULA: C73H142O17P2 NON_SPECIFIC_FORMULA: C13H18O17P2R4 SMILES: OC(COP(O)(=O)OC[C@@H](COC([*])=O)OC([*])=O)COP(O)(=O)OC[C@@H](COC([*])=O)OC([*])=O CHARGE: -1 FORMULA: C22H33O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: -1 FORMULA: C22H33O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: -4 FORMULA: C43H64N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H64N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H64N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C29H47NO4 CHARGE: 0 FORMULA: C29H47NO4 CHARGE: -1 FORMULA: C11H19N4O10P2 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -2 FORMULA: C20H29N4O16P SMILES: [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -2 FORMULA: C20H29N4O16P SMILES: [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -2 FORMULA: C20H29N4O16P SMILES: [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO CHARGE: -2 FORMULA: C14H25N4O10P2 CHARGE: -1 FORMULA: C7H6NO5 SMILES: N\C(C([O-])=O)=C(\C=C/C=O)C([O-])=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO SMILES: [C-]#[O+] CHARGE: 0 FORMULA: CO SMILES: [C-]#[O+] CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C17H21NO4 SMILES: [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C CHARGE: 0 FORMULA: C69H113N11O45 CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C71H116N12O45 CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C61H100N10O40 CHARGE: 0 FORMULA: C21H28O5 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: -4 FORMULA: C30H38N7O18P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1 CHARGE: 0 FORMULA: C9H6O2 SMILES: O=c1ccc2ccccc2o1 CHARGE: 0 FORMULA: C9H6O2 SMILES: O=c1ccc2ccccc2o1 CHARGE: -4 FORMULA: C36H40N4O8 SMILES: Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(C)c5CCC([O-])=O)c(C)c4CCC([O-])=O)c(CCC([O-])=O)c3C CHARGE: 0 FORMULA: C4H9N3O2 SMILES: CN(CC(O)=O)C(N)=N CHARGE: 0 FORMULA: C4H9N3O2 SMILES: CN(CC(O)=O)C(N)=N CHARGE: 0 FORMULA: C4H9N3O2 SMILES: CN(CC(O)=O)C(N)=N CHARGE: 0 FORMULA: C34H67NO3 NON_SPECIFIC_FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: 0 FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: 0 FORMULA: C34H67NO3 NON_SPECIFIC_FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: 0 FORMULA: C34H67NO3 NON_SPECIFIC_FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: 0 FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: 0 FORMULA: C34H67NO3 NON_SPECIFIC_FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: -2 FORMULA: C34H66NO6P NON_SPECIFIC_FORMULA: C19H35NO6PR SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC([*])=O CHARGE: -2 FORMULA: C34H66NO6P NON_SPECIFIC_FORMULA: C19H35NO6PR SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC([*])=O CHARGE: 0 FORMULA: C7H15NO3 SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O CHARGE: 0 FORMULA: C7H15NO3 SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O CHARGE: 0 FORMULA: C7H15NO3 SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O CHARGE: 0 FORMULA: C7H15NO3 SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O CHARGE: 0 FORMULA: C7H15NO3 SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O CHARGE: 0 FORMULA: C4H7N3O SMILES: CN1CC(=O)NC1=N CHARGE: 0 FORMULA: C21H30O5 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O5 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O5 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O5 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C(=O)CO CHARGE: -1 FORMULA: C22H31O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O CHARGE: -1 FORMULA: C22H31O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O CHARGE: -3 FORMULA: C34H51N2O33S2 CHARGE: -4 FORMULA: C40H58N2O39S2 CHARGE: -4 FORMULA: C48H71N3O44S2 CHARGE: -4 FORMULA: C45H68N2O43S2 CHARGE: -4 FORMULA: C37H55NO38S2 CHARGE: -3 FORMULA: C31H48NO32S2 CHARGE: -2 FORMULA: C31H49NO29S CHARGE: -2 FORMULA: C23H36O24S CHARGE: -5 FORMULA: C45H67N2O46S3 CHARGE: -5 FORMULA: C45H67N2O46S3 CHARGE: -5 FORMULA: C37H54NO41S3 CHARGE: -4 FORMULA: C37H55NO38S2 CHARGE: -6 FORMULA: C45H66N2O49S4 CHARGE: -4 FORMULA: C48H71N3O44S2 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -3 FORMULA: C34H51N2O33S2 CHARGE: -4 FORMULA: C45H68N2O43S2 CHARGE: -4 FORMULA: C37H55NO38S2 CHARGE: -3 FORMULA: C31H48NO32S2 CHARGE: -2 FORMULA: C31H49NO29S CHARGE: -2 FORMULA: C23H36O24S CHARGE: -5 FORMULA: C45H67N2O46S3 CHARGE: -4 FORMULA: C40H58N2O39S2 CHARGE: -4 FORMULA: C48H71N3O44S2 CHARGE: -6 FORMULA: C45H66N2O49S4 CHARGE: -6 FORMULA: C37H53NO44S4 CHARGE: -5 FORMULA: C37H54NO41S3 CHARGE: -4 FORMULA: C31H47NO35S3 CHARGE: -3 FORMULA: C31H48NO32S2 CHARGE: -3 FORMULA: C23H35O27S2 CHARGE: -7 FORMULA: C45H65N2O52S5 CHARGE: -4 FORMULA: C34H50N2O36S3 CHARGE: -5 FORMULA: C40H57N2O42S3 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -6 FORMULA: C48H69N3O50S4 CHARGE: -7 FORMULA: C45H65N2O52S5 CHARGE: -6 FORMULA: C45H66N2O49S4 CHARGE: -6 FORMULA: C37H53NO44S4 CHARGE: -5 FORMULA: C31H46NO38S4 CHARGE: -4 FORMULA: C31H47NO35S3 CHARGE: -3 FORMULA: C31H48NO32S2 CHARGE: -3 FORMULA: C23H35O27S2 CHARGE: -8 FORMULA: C45H64N2O55S6 CHARGE: -5 FORMULA: C34H49N2O39S4 CHARGE: -6 FORMULA: C40H56N2O45S4 CHARGE: -6 FORMULA: C48H69N3O50S4 CHARGE: -7 FORMULA: C48H68N3O53S5 CHARGE: -7 FORMULA: C48H68N3O53S5 CHARGE: -1 FORMULA: C26H40NO22 CHARGE: -1 FORMULA: C34H53N2O27 CHARGE: 0 FORMULA: C4H5N3O SMILES: Nc1cc[nH]c(=O)n1 CHARGE: 0 FORMULA: C4H5N3O SMILES: Nc1cc[nH]c(=O)n1 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -6 FORMULA: C48H69N3O50S4 CHARGE: -6 FORMULA: C48H69N3O50S4 CHARGE: -6 FORMULA: C48H69N3O50S4 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -5 FORMULA: C48H70N3O47S3 CHARGE: -7 FORMULA: C48H68N3O53S5 CHARGE: -7 FORMULA: C48H68N3O53S5 CHARGE: -7 FORMULA: C48H68N3O53S5 CHARGE: -8 FORMULA: C48H67N3O56S6 CHARGE: -8 FORMULA: C48H67N3O56S6 CHARGE: -8 FORMULA: C48H67N3O56S6 CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C9H12N3O14P3 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -4 FORMULA: C9H12N3O14P3 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -4 FORMULA: C9H12N3O14P3 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -4 FORMULA: C9H12N3O14P3 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: CHN SMILES: C#N CHARGE: 0 FORMULA: CHN SMILES: C#N CHARGE: 0 FORMULA: CHN SMILES: C#N CHARGE: -1 FORMULA: CNO SMILES: [O-]C#N CHARGE: -1 FORMULA: CNO SMILES: [O-]C#N CHARGE: -1 FORMULA: CNO SMILES: [O-]C#N CHARGE: -1 FORMULA: CNO SMILES: [O-]C#N CHARGE: 0 FORMULA: C3H7NO2S SMILES: N[C@@H](CS)C(O)=O CHARGE: 0 FORMULA: C3H7NO2S SMILES: N[C@@H](CS)C(O)=O CHARGE: 0 FORMULA: C3H7NO2S SMILES: N[C@@H](CS)C(O)=O CHARGE: 0 FORMULA: C3H7NO2S SMILES: N[C@@H](CS)C(O)=O CHARGE: 1 FORMULA: C2H8NS SMILES: [NH3+]CCS CHARGE: 1 FORMULA: C2H8NS SMILES: [NH3+]CCS CHARGE: 0 FORMULA: C7H14N2O4S SMILES: N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O CHARGE: 0 FORMULA: C7H14N2O4S SMILES: N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O CHARGE: 0 FORMULA: C9H13N3O5 SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O5 SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O5 SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O5 SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O5 SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C10H13N5O3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: 0 FORMULA: C10H13N5O3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: 0 FORMULA: C10H13N5O3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: -3 FORMULA: C10H12N5O9P2 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -3 FORMULA: C10H12N5O9P2 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -3 FORMULA: C10H12N5O9P2 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: 0 FORMULA: C35H68O5 NON_SPECIFIC_FORMULA: C20H37O5R SMILES: [*]OCC(CO[*])O[*] CHARGE: 0 FORMULA: C35H68O5 NON_SPECIFIC_FORMULA: C20H37O5R SMILES: [*]OCC(CO[*])O[*] CHARGE: 0 FORMULA: C35H68O5 NON_SPECIFIC_FORMULA: C20H37O5R SMILES: [*]OCC(CO[*])O[*] CHARGE: 0 FORMULA: C35H68O5 NON_SPECIFIC_FORMULA: C20H37O5R SMILES: [*]OCC(CO[*])O[*] CHARGE: 0 FORMULA: C21H41NO7PR NON_SPECIFIC_FORMULA: C6H10NO7PR2 CHARGE: -2 FORMULA: C10H12N5O6P SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: -2 FORMULA: C10H12N5O6P SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: -4 FORMULA: C10H12N5O12P3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -4 FORMULA: C10H12N5O12P3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -4 FORMULA: C10H12N5O12P3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -4 FORMULA: C31H48N7O17P3S SMILES: CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H48N7O17P3S SMILES: CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C10H19O2 SMILES: CCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C10H19O2 SMILES: CCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C10H19O2 SMILES: CCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C31H50N7O17P3S SMILES: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H50N7O17P3S SMILES: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H50N7O17P3S SMILES: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C14H14N5O11P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC(CC([O-])=O)C([O-])=O)ncnc12 CHARGE: -3 FORMULA: C9H12N3O10P2 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -3 FORMULA: C9H12N3O10P2 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -3 FORMULA: C9H12N3O10P2 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C45H70N7O19P3S SMILES: [H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -2 FORMULA: C9H12N3O7P SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O7P SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O7P SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O7P SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -2 FORMULA: C9H12N3O7P SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -1 FORMULA: C22H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O CHARGE: -1 FORMULA: C22H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: -4 FORMULA: C43H64N7O17P3S CHARGE: 0 FORMULA: C29H47NO4 CHARGE: 0 FORMULA: C29H47NO4 CHARGE: -4 FORMULA: C9H12N3O13P3 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 CHARGE: -4 FORMULA: C9H12N3O13P3 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 CHARGE: -4 FORMULA: C9H12N3O13P3 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O4 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O4 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O4 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O4 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O4 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CHARGE: -4 FORMULA: C33H52N7O17P3S SMILES: CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O17P3S SMILES: CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O17P3S SMILES: CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O17P3S SMILES: CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O17P3S SMILES: CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: 0 FORMULA: C12H23OSR CHARGE: -1 FORMULA: C12H23O2 SMILES: CCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C33H54N7O17P3S SMILES: CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H54N7O17P3S SMILES: CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H54N7O17P3S SMILES: CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C19H37NO4 SMILES: CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C19H37NO4 SMILES: CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C19H35NO4 CHARGE: 0 FORMULA: C19H35NO4 CHARGE: 0 FORMULA: C27H42O SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C CHARGE: 1 FORMULA: C10H14N3 SMILES: NC(=N)N1CCc2ccccc2C1 CHARGE: 1 FORMULA: C10H14N3 SMILES: NC(=N)N1CCc2ccccc2C1 CHARGE: 0 FORMULA: C31H50N7O17P3S SMILES: CCCCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H50N7O17P3S SMILES: CCCCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: 0 FORMULA: C31H50N7O17P3S SMILES: CCCCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C17H29NO4 CHARGE: 0 FORMULA: C17H29NO4 CHARGE: -3 FORMULA: C50H81O7P2 CHARGE: -3 FORMULA: C50H81O7P2 CHARGE: -4 FORMULA: C31H48N7O17P3S SMILES: CCCCCC\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H48N7O17P3S SMILES: CCCCCC\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H52N7O17P3S SMILES: CCCCC\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H52N7O17P3S SMILES: CCCCC\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H44N7O17P3S CHARGE: -4 FORMULA: C31H44N7O17P3S CHARGE: 0 FORMULA: C20H34O NON_SPECIFIC_FORMULA: C20H34O(C5H8)n CHARGE: 0 FORMULA: C20H36O7P2 NON_SPECIFIC_FORMULA: C20H36O7P2(C5H8)n CHARGE: 0 FORMULA: C20H35O4P NON_SPECIFIC_FORMULA: C20H35O4P(C5H8)n CHARGE: 0 FORMULA: C69H132N3O38P3 NON_SPECIFIC_FORMULA: C54H101N3O38P3R CHARGE: 0 FORMULA: C26H43NO5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: 0 FORMULA: C26H43NO5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: 0 FORMULA: C26H43NO5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: 0 FORMULA: C71H138N4O41P4 NON_SPECIFIC_FORMULA: C56H107N4O41P4R CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 CHARGE: 0 FORMULA: C3H6O3 SMILES: OCC(=O)CO CHARGE: 0 FORMULA: C3H6O3 SMILES: OCC(=O)CO CHARGE: -2 FORMULA: C3H5O6P SMILES: OCC(=O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H5O6P SMILES: OCC(=O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H5O6P SMILES: OCC(=O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H5O6P SMILES: OCC(=O)COP([O-])([O-])=O CHARGE: 0 FORMULA: C9H13N5O3 SMILES: CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2=N1 CHARGE: -1 FORMULA: C27H45O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C(O)=O CHARGE: -1 FORMULA: C27H45O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C(O)=O CHARGE: -1 FORMULA: C27H45O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C(O)=O CHARGE: -1 FORMULA: C27H45O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C(O)=O CHARGE: -4 FORMULA: C48H76N7O19P3S SMILES: [H][C@@](C)(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H76N7O19P3S SMILES: [H][C@@](C)(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H76N7O19P3S SMILES: [H][C@@](C)(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H76N7O19P3S SMILES: [H][C@@](C)(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H74N7O19P3S SMILES: [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H74N7O19P3S SMILES: [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H74N7O19P3S SMILES: [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: -4 FORMULA: C48H74N7O19P3S SMILES: [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: 0 FORMULA: C34H69NO3 NON_SPECIFIC_FORMULA: C19H38NO3R SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC([*])=O CHARGE: -1 FORMULA: C6H5O6 SMILES: OCC(O)[C-]1OC(=O)C(=O)C1=O CHARGE: -1 FORMULA: C6H5O6 SMILES: OCC(O)[C-]1OC(=O)C(=O)C1=O CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] CHARGE: -1 FORMULA: C19H27O5S SMILES: C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H] CHARGE: -1 FORMULA: C19H27O5S SMILES: C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H] CHARGE: -1 FORMULA: C19H27O5S SMILES: C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H] CHARGE: -2 FORMULA: C19H19N7O6 SMILES: Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H19N7O6 SMILES: Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H19N7O6 SMILES: Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H19N7O6 SMILES: Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=Nc2c(=O)[nH]1 CHARGE: 0 FORMULA: C8H17NOS2 SMILES: NC(=O)CCCCC(S)CCS CHARGE: 0 FORMULA: C8H16NOS2R CHARGE: -1 FORMULA: C5H5N2O4 SMILES: [O-]C(=O)[C@@H]1CC(=O)NC(=O)N1 CHARGE: -3 FORMULA: C10H11N4O10P2 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cnc2c1nc[nH]c2=O CHARGE: -3 FORMULA: C10H11N4O10P2 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cnc2c1nc[nH]c2=O CHARGE: -3 FORMULA: C10H11N4O10P2 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C46H87NO16S NON_SPECIFIC_FORMULA: C31H56NO16SR CHARGE: 0 FORMULA: C46H87NO16S NON_SPECIFIC_FORMULA: C31H56NO16SR CHARGE: 0 FORMULA: C46H87NO16S NON_SPECIFIC_FORMULA: C31H56NO16SR CHARGE: 0 FORMULA: C46H87NO13 NON_SPECIFIC_FORMULA: C31H56NO13R CHARGE: 0 FORMULA: C46H87NO13 NON_SPECIFIC_FORMULA: C31H56NO13R CHARGE: 0 FORMULA: C46H87NO13 NON_SPECIFIC_FORMULA: C31H56NO13R CHARGE: -2 FORMULA: C10H11N4O7P SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C10H12N4O4 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C10H12N4O4 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C10H11N4O13P3 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C10H11N4O13P3 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C10H11N4O13P3 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1nc[nH]c2=O CHARGE: -2 FORMULA: C6H9O6PS SMILES: CSCCC(=O)C(=O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C20H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O CHARGE: -4 FORMULA: C41H64N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H64N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H64N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H47NO4 CHARGE: 0 FORMULA: C27H47NO4 CHARGE: 0 FORMULA: C10H10N2O SMILES: CC1=NN(C(=O)C1)c1ccccc1 CHARGE: 0 FORMULA: C10H10N2O SMILES: CC1=NN(C(=O)C1)c1ccccc1 CHARGE: 0 FORMULA: C4H9NO2 SMILES: CN(C)CC(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: CN(C)CC(O)=O CHARGE: -4 FORMULA: C30H48N7O17P3S SMILES: CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C30H48N7O17P3S SMILES: CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C16H31NO4 CHARGE: 0 FORMULA: C16H31NO4 CHARGE: 0 FORMULA: C16H31NO4 CHARGE: -4 FORMULA: C32H52N7O17P3S CHARGE: -4 FORMULA: C32H52N7O17P3S CHARGE: -4 FORMULA: C32H52N7O17P3S CHARGE: 0 FORMULA: C18H35NO4 SMILES: CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C18H35NO4 SMILES: CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C18H35NO4 SMILES: CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: -3 FORMULA: C5H9O7P2 SMILES: CC(C)=CCOP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C5H9O7P2 SMILES: CC(C)=CCOP([O-])(=O)OP([O-])([O-])=O CHARGE: 0 FORMULA: C10H16N3O7P NON_SPECIFIC_FORMULA: C10H16N3O7P(C5H8O5PR)n CHARGE: 0 FORMULA: C9H14N3O7P NON_SPECIFIC_FORMULA: C9H14N3O7P(C5H8O5PR)n CHARGE: -2 FORMULA: C21H24N6O15P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C21H24N6O15P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C21H24N6O15P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C22H42O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O CHARGE: -4 FORMULA: C43H72N7O17P3S CHARGE: -4 FORMULA: C43H72N7O17P3S CHARGE: -4 FORMULA: C43H60N7O17P3S CHARGE: -4 FORMULA: C43H62N7O17P3S CHARGE: -4 FORMULA: C43H62N7O17P3S CHARGE: -1 FORMULA: C22H43O2 SMILES: CCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C22H43O2 SMILES: CCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C22H43O2 SMILES: CCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C43H62N7O17P3S CHARGE: -4 FORMULA: C43H74N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H74N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -2 FORMULA: C22H40O4 CHARGE: -2 FORMULA: C22H40O4 CHARGE: -2 FORMULA: C22H40O4 CHARGE: 0 FORMULA: C12H22O4 SMILES: OC(=O)CCCCCCCCCCC(O)=O CHARGE: 0 FORMULA: C12H22O4 SMILES: OC(=O)CCCCCCCCCCC(O)=O CHARGE: 0 FORMULA: C20H38O7P2 NON_SPECIFIC_FORMULA: C20H38O7P2(C5H8)n CHARGE: 0 FORMULA: C26H47O9P NON_SPECIFIC_FORMULA: C26H47O9P(C5H8)n CHARGE: 0 FORMULA: C26H47O9P NON_SPECIFIC_FORMULA: C26H47O9P(C5H8)n CHARGE: 0 FORMULA: C20H36O NON_SPECIFIC_FORMULA: C20H36O(C5H8)n CHARGE: 0 FORMULA: C20H36O NON_SPECIFIC_FORMULA: C20H36O(C5H8)n CHARGE: 0 FORMULA: C26H47O9P NON_SPECIFIC_FORMULA: C26H47O9P(C5H8)n CHARGE: 0 FORMULA: C26H47O9P NON_SPECIFIC_FORMULA: C26H47O9P(C5H8)n CHARGE: -2 FORMULA: C20H35O4P NON_SPECIFIC_FORMULA: C20H35O4P(C5H8)n CHARGE: -2 FORMULA: C20H35O4P NON_SPECIFIC_FORMULA: C20H35O4P(C5H8)n CHARGE: 1 FORMULA: C8H12NO2 SMILES: [NH3+]CCc1ccc(O)c(O)c1 CHARGE: 1 FORMULA: C8H12NO2 SMILES: [NH3+]CCc1ccc(O)c(O)c1 CHARGE: 1 FORMULA: C8H12NO2 SMILES: [NH3+]CCc1ccc(O)c(O)c1 CHARGE: 1 FORMULA: C8H12NO2 SMILES: [NH3+]CCc1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C9H9NO4 SMILES: N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O CHARGE: 0 FORMULA: C9H9NO4 SMILES: N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O CHARGE: 0 FORMULA: C8H11NO5S SMILES: NCCc1ccc(O)c(OS(O)(=O)=O)c1 CHARGE: 0 FORMULA: C8H11NO5S SMILES: NCCc1ccc(O)c(OS(O)(=O)=O)c1 CHARGE: -2 FORMULA: C21H33N7O13P2S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -2 FORMULA: C21H33N7O13P2S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -2 FORMULA: C21H33N7O13P2S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -2 FORMULA: C21H33N7O13P2S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C5H10O4 SMILES: OC[C@@H](O)[C@@H](O)CC=O CHARGE: 0 FORMULA: C5H10O4 SMILES: OC[C@@H](O)[C@@H](O)CC=O CHARGE: -2 FORMULA: C83H132N12O56 CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C CHARGE: -2 FORMULA: C16H22N2O15P2 SMILES: C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O CHARGE: -2 FORMULA: C16H22N2O15P2 SMILES: C[C@@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O CHARGE: -3 FORMULA: C10H13N2O11P2 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -3 FORMULA: C10H13N2O11P2 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -3 FORMULA: C10H13N2O11P2 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -3 FORMULA: C10H13N2O11P2 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -2 FORMULA: C16H24N2O16P2 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C16H26N2O15P2 SMILES: C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H13N2O8P SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -2 FORMULA: C10H13N2O8P SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -2 FORMULA: C10H13N2O8P SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -2 FORMULA: C10H13N2O8P SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -2 FORMULA: C10H13N2O8P SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C4H8O2S2 CHARGE: 0 FORMULA: C4H10O2S2 SMILES: OC(CS)C(O)CS CHARGE: -4 FORMULA: C10H13N2O14P3 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -4 FORMULA: C10H13N2O14P3 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -4 FORMULA: C10H13N2O14P3 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -4 FORMULA: C10H13N2O14P3 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O11P2 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O11P2 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O11P2 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O8P SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O8P SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O8P SMILES: O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O5 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O5 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O5 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O5 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O14P3 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O14P3 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O14P3 SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C1779H3237N455O877S14 CHARGE: -1 FORMULA: C5H8NO5 SMILES: [NH3+][C@@H](C[C@@H](O)C([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C5H8NO5 SMILES: [NH3+][C@@H](C[C@@H](O)C([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C4H7O7P SMILES: [H]C(=O)[C@H](O)[C@H](O)COP([O-])([O-])=O CHARGE: 0 FORMULA: C17H12O7 SMILES: [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2 CHARGE: 0 FORMULA: C17H12O7 SMILES: [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2 CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H] CHARGE: 0 FORMULA: C32H39NO2 CHARGE: 0 FORMULA: C32H39NO2 CHARGE: 0 FORMULA: C32H39NO2 CHARGE: 0 FORMULA: C32H39NO3 CHARGE: 0 FORMULA: C32H39NO3 CHARGE: 0 FORMULA: C32H39NO3 CHARGE: -1 FORMULA: C9H14NO3 SMILES: [H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C CHARGE: 0 FORMULA: C10H17NO3 SMILES: [H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(=O)OC)[NH+]2C CHARGE: -4 FORMULA: C41H68N7O17P3S CHARGE: -1 FORMULA: C20H31O2 SMILES: OC([*])=O CHARGE: -1 FORMULA: C20H31O2 SMILES: OC([*])=O CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H62N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H45NO4 CHARGE: 0 FORMULA: C27H45NO4 CHARGE: -4 FORMULA: C41H60N7O17P3S CHARGE: -4 FORMULA: C41H62N7O17P3S CHARGE: -4 FORMULA: C41H62N7O17P3S CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C\CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C\CCCCCCCC([O-])=O CHARGE: 0 FORMULA: C25H47NO4 SMILES: O(C(CCCCCCC/C=C/CCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C CHARGE: 0 FORMULA: C25H47NO4 SMILES: O(C(CCCCCCC/C=C/CCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C CHARGE: 0 FORMULA: C85H162N3O39P3 NON_SPECIFIC_FORMULA: C70H131N3O39P3R CHARGE: 0 FORMULA: C85H162N3O39P3 NON_SPECIFIC_FORMULA: C70H131N3O39P3R CHARGE: 0 FORMULA: C83H156N2O36P2 NON_SPECIFIC_FORMULA: C68H125N2O36P2R CHARGE: 0 FORMULA: C85H162N3O39P3 NON_SPECIFIC_FORMULA: C70H131N3O39P3R CHARGE: 0 FORMULA: C71H136N2O26P2 NON_SPECIFIC_FORMULA: C56H105N2O26P2R CHARGE: 0 FORMULA: C4H8O4 SMILES: OC[C@H](O)C(=O)CO CHARGE: 0 FORMULA: C18H24O2 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H24O2 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H24O2 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C24H32O8 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21 CHARGE: 0 FORMULA: C24H32O8 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21 CHARGE: 0 FORMULA: C24H32O8 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21 CHARGE: 0 FORMULA: C18H24O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H24O3 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C24H32O9 CHARGE: 0 FORMULA: C24H32O9 CHARGE: 0 FORMULA: C24H32O9 CHARGE: 0 FORMULA: C18H22O2 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H22O2 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C18H22O2 SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C24H30O8 CHARGE: 0 FORMULA: C24H30O8 CHARGE: 0 FORMULA: C24H30O8 CHARGE: -1 FORMULA: C18H21O5S SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21 CHARGE: -1 FORMULA: C18H21O5S SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21 CHARGE: -1 FORMULA: C18H21O5S SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21 CHARGE: 0 FORMULA: X CHARGE: 0 FORMULA: XH2 CHARGE: 1 FORMULA: C2H8NO SMILES: [NH3+]CCO CHARGE: -1 FORMULA: C2H7NO4P SMILES: [NH3+]CCOP([O-])([O-])=O CHARGE: -1 FORMULA: C2H7NO4P SMILES: [NH3+]CCOP([O-])([O-])=O CHARGE: 0 FORMULA: C2H6O SMILES: CCO CHARGE: 0 FORMULA: C2H6O SMILES: CCO CHARGE: 0 FORMULA: C2H6O SMILES: CCO CHARGE: 0 FORMULA: C69H113N11O45 CHARGE: 0 FORMULA: C69H113N11O45 CHARGE: -2 FORMULA: C6H11O9P SMILES: [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O CHARGE: -4 FORMULA: C6H10O12P2 SMILES: OC[C@]1(O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]1O)OP([O-])([O-])=O CHARGE: 1 FORMULA: C10H13N2O3 CHARGE: -2 FORMULA: C6H11O9P SMILES: OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C27H31N9O15P2 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H31N9O15P2 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H31N9O15P2 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H31N9O15P2 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H31N9O15P2 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H33N9O15P2 SMILES: Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H33N9O15P2 SMILES: Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H33N9O15P2 SMILES: Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: -2 FORMULA: C27H33N9O15P2 SMILES: Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: -4 FORMULA: C6H10O12P2 SMILES: [H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O CHARGE: 2 FORMULA: Fe SMILES: [Fe++] CHARGE: 2 FORMULA: Fe SMILES: [Fe++] CHARGE: 2 FORMULA: Fe SMILES: [Fe++] CHARGE: 3 FORMULA: Fe SMILES: [Fe+3] CHARGE: 3 FORMULA: Fe SMILES: [Fe+3] CHARGE: -2 FORMULA: C8H13N2O9P SMILES: O[C@H]1[C@@H](O)C(NC(=O)CNC=O)O[C@@H]1COP([O-])([O-])=O CHARGE: 1 FORMULA: C42H44FeN8O8S2R4 SMILES: CC(SC[C@H](NC([*])=O)C(=O)N[*])C1=C(C)/C2=C/c3c(C(C)SC[C@H](NC([*])=O)C(=O)N[*])c(C)c4\C=C5/N=C(C=c6c(CCC(O)=O)c(C)c(=CC1=N\2)n6[Fe+]n34)C(CCC(O)=O)=C/5C CHARGE: -2 FORMULA: C17H19N4O9P SMILES: C12=NC([N-]C(C1=NC=3C(N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)=CC(=C(C3)C)C)=O)=O CHARGE: -2 FORMULA: C17H19N4O9P SMILES: C12=NC([N-]C(C1=NC=3C(N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)=CC(=C(C3)C)C)=O)=O CHARGE: 0 FORMULA: C60H100N6O42 SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](NC(=O)C[C@H](N)C(O)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C13H16N2O4 CHARGE: 0 FORMULA: C42H44FeN8O8S2R4 SMILES: CC(SC[C@H](NC([*])=O)C(=O)N[*])C1=C(C)/C2=C/c3c(C(C)SC[C@H](NC([*])=O)C(=O)N[*])c(C)c4\C=C5/N=C(C=c6c(CCC(O)=O)c(C)c(=CC1=N\2)n6[Fe]n34)C(CCC(O)=O)=C/5C CHARGE: -1 FORMULA: C19H18N7O6 SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 CHARGE: -1 FORMULA: C19H18N7O6 SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 CHARGE: -1 FORMULA: C19H18N7O6 SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 CHARGE: -1 FORMULA: CHO2 SMILES: [H]C([O-])=O CHARGE: -1 FORMULA: CHO2 SMILES: [H]C([O-])=O CHARGE: -1 FORMULA: CHO2 SMILES: [H]C([O-])=O CHARGE: -1 FORMULA: CHO2 SMILES: [H]C([O-])=O CHARGE: -1 FORMULA: CHO2 SMILES: [H]C([O-])=O CHARGE: -2 FORMULA: C6H8N2O4 SMILES: [H]C(=N)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -4 FORMULA: C22H32N7O17P3S SMILES: [H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C22H32N7O17P3S SMILES: [H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C8H15N3O8P SMILES: O[C@H]1[C@@H](O)C(NC(=[NH2+])CNC=O)O[C@@H]1COP([O-])([O-])=O CHARGE: -2 FORMULA: C10H13N4O9P SMILES: [H]C(=O)Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C(N)=O CHARGE: -3 FORMULA: C15H25O7P2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C15H25O7P2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C15H25O7P2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: -2 FORMULA: C6H11O8P SMILES: C[C@@H]1OC(OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O5 CHARGE: 0 FORMULA: C6H12O5 CHARGE: 0 FORMULA: C6H12O5 CHARGE: 0 FORMULA: C80H143N3O36 NON_SPECIFIC_FORMULA: C65H112N3O36R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C80H143N3O36 NON_SPECIFIC_FORMULA: C65H112N3O36R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C80H143N3O36 NON_SPECIFIC_FORMULA: C65H112N3O36R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C77H137N3O35 NON_SPECIFIC_FORMULA: C62H106N3O35R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C77H137N3O35 NON_SPECIFIC_FORMULA: C62H106N3O35R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C77H137N3O35 NON_SPECIFIC_FORMULA: C62H106N3O35R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -1 FORMULA: C77H136N3O35 NON_SPECIFIC_FORMULA: C62H105N3O35R CHARGE: -1 FORMULA: C77H136N3O35 NON_SPECIFIC_FORMULA: C62H105N3O35R CHARGE: -1 FORMULA: C77H136N3O35 NON_SPECIFIC_FORMULA: C62H105N3O35R CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C86H153N3O41 NON_SPECIFIC_FORMULA: C71H122N3O41R CHARGE: 0 FORMULA: C86H153N3O41 NON_SPECIFIC_FORMULA: C71H122N3O41R CHARGE: 0 FORMULA: C86H153N3O41 NON_SPECIFIC_FORMULA: C71H122N3O41R CHARGE: 0 FORMULA: C106H186N4O55 NON_SPECIFIC_FORMULA: C91H155N4O55R CHARGE: 0 FORMULA: C106H186N4O55 NON_SPECIFIC_FORMULA: C91H155N4O55R CHARGE: 0 FORMULA: C106H186N4O55 NON_SPECIFIC_FORMULA: C91H155N4O55R CHARGE: 0 FORMULA: C92H163N3O45 NON_SPECIFIC_FORMULA: C77H132N3O45R CHARGE: 0 FORMULA: C92H163N3O45 NON_SPECIFIC_FORMULA: C77H132N3O45R CHARGE: 0 FORMULA: C92H163N3O45 NON_SPECIFIC_FORMULA: C77H132N3O45R CHARGE: 0 FORMULA: C100H176N4O51 NON_SPECIFIC_FORMULA: C85H145N4O51R CHARGE: 0 FORMULA: C86H153N3O41 NON_SPECIFIC_FORMULA: C71H122N3O41R CHARGE: 0 FORMULA: C100H176N4O51 NON_SPECIFIC_FORMULA: C85H145N4O51R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C86H153N3O41 NON_SPECIFIC_FORMULA: C71H122N3O41R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C100H176N4O51 NON_SPECIFIC_FORMULA: C85H145N4O51R CHARGE: 0 FORMULA: C94H166N4O47 NON_SPECIFIC_FORMULA: C79H135N4O47R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C78H140N2O36 NON_SPECIFIC_FORMULA: C63H109N2O36R CHARGE: 0 FORMULA: C78H140N2O36 NON_SPECIFIC_FORMULA: C63H109N2O36R CHARGE: 0 FORMULA: C78H140N2O36 NON_SPECIFIC_FORMULA: C63H109N2O36R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: -2 FORMULA: C4H2O4 SMILES: [O-]C(=O)\C=C\C([O-])=O CHARGE: -2 FORMULA: C4H2O4 SMILES: [O-]C(=O)\C=C\C([O-])=O CHARGE: -2 FORMULA: C4H2O4 SMILES: [O-]C(=O)\C=C\C([O-])=O CHARGE: 0 FORMULA: C68H112N4O52 CHARGE: 0 FORMULA: C68H112N4O52 CHARGE: 0 FORMULA: C74H122N4O57 CHARGE: 0 FORMULA: C74H122N4O57 CHARGE: 0 FORMULA: C74H122N4O57 CHARGE: 0 FORMULA: C74H122N4O57 CHARGE: 0 FORMULA: C80H132N4O62 CHARGE: 0 FORMULA: C80H132N4O62 CHARGE: 0 FORMULA: C96H164N2O67P2 NON_SPECIFIC_FORMULA: C96H164N2O67P2(C5H8)n CHARGE: 0 FORMULA: C96H164N2O67P2 NON_SPECIFIC_FORMULA: C96H164N2O67P2(C5H8)n CHARGE: -2 FORMULA: C6H11O9P SMILES: OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C6H11O9P SMILES: OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C86H142N4O67 CHARGE: 0 FORMULA: C86H142N4O67 CHARGE: 0 FORMULA: C102H174N2O72P2 NON_SPECIFIC_FORMULA: C102H174N2O72P2(C5H8)n CHARGE: 0 FORMULA: C102H174N2O72P2 NON_SPECIFIC_FORMULA: C102H174N2O72P2(C5H8)n CHARGE: 0 FORMULA: C92H152N4O72 CHARGE: 0 FORMULA: C92H152N4O72 CHARGE: 0 FORMULA: C108H184N2O77P2 NON_SPECIFIC_FORMULA: C108H184N2O77P2(C5H8)n CHARGE: 0 FORMULA: C108H184N2O77P2 NON_SPECIFIC_FORMULA: C108H184N2O77P2(C5H8)n CHARGE: -2 FORMULA: C3H5O6P SMILES: [H]C(=O)C(O)COP([O-])([O-])=O CHARGE: 0 FORMULA: C8H20NO6P SMILES: C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO CHARGE: -2 FORMULA: C6H11O9P SMILES: OC1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O CHARGE: -2 FORMULA: C6H11O9P SMILES: OC1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R CHARGE: 0 FORMULA: C54H100N2O18 NON_SPECIFIC_FORMULA: C39H69N2O18R CHARGE: 0 FORMULA: C63H120NO18P NON_SPECIFIC_FORMULA: C48H89NO18PR SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C63H120NO18P NON_SPECIFIC_FORMULA: C48H89NO18PR SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: -2 FORMULA: C6H11O9P SMILES: OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C94H166N4O47 NON_SPECIFIC_FORMULA: C79H135N4O47R CHARGE: 0 FORMULA: C88H156N4O43 NON_SPECIFIC_FORMULA: C73H125N4O43R CHARGE: 0 FORMULA: C74H133N3O33 NON_SPECIFIC_FORMULA: C59H102N3O33R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O CHARGE: 0 FORMULA: C88H156N4O43 NON_SPECIFIC_FORMULA: C73H125N4O43R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C80H143N3O38 NON_SPECIFIC_FORMULA: C65H112N3O38R CHARGE: 0 FORMULA: C80H143N3O38 NON_SPECIFIC_FORMULA: C65H112N3O38R CHARGE: 0 FORMULA: C80H143N3O38 NON_SPECIFIC_FORMULA: C65H112N3O38R CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: 0 FORMULA: C86H153N3O42 NON_SPECIFIC_FORMULA: C71H122N3O42R CHARGE: 0 FORMULA: C86H153N3O42 NON_SPECIFIC_FORMULA: C71H122N3O42R CHARGE: 0 FORMULA: C86H153N3O42 NON_SPECIFIC_FORMULA: C71H122N3O42R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C112H196N4O61 NON_SPECIFIC_FORMULA: C97H165N4O61R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C112H196N4O61 NON_SPECIFIC_FORMULA: C97H165N4O61R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C112H196N4O61 NON_SPECIFIC_FORMULA: C97H165N4O61R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C70H127NO33 NON_SPECIFIC_FORMULA: C55H96NO33R CHARGE: 0 FORMULA: C70H127NO33 NON_SPECIFIC_FORMULA: C55H96NO33R CHARGE: 0 FORMULA: C70H127NO33 NON_SPECIFIC_FORMULA: C55H96NO33R CHARGE: 0 FORMULA: C64H117NO28 NON_SPECIFIC_FORMULA: C49H86NO28R CHARGE: 0 FORMULA: C66H120N2O28 NON_SPECIFIC_FORMULA: C51H89N2O28R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C46H87NO13 NON_SPECIFIC_FORMULA: C31H56NO13R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C46H87NO13 NON_SPECIFIC_FORMULA: C31H56NO13R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C46H87NO13 NON_SPECIFIC_FORMULA: C31H56NO13R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C6H14O6 SMILES: OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C58H107NO23 NON_SPECIFIC_FORMULA: C43H76NO23R CHARGE: -1 FORMULA: C6H13NO8P CHARGE: 1 FORMULA: C6H14NO5 CHARGE: 1 FORMULA: C6H14NO5 CHARGE: -1 FORMULA: C7H14N2O8P SMILES: [NH3+]CC(=O)NC1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C2H4O2 SMILES: [H]C(=O)CO CHARGE: 0 FORMULA: C2H4O2 SMILES: [H]C(=O)CO CHARGE: 0 FORMULA: C26H43NO6 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: 0 FORMULA: C26H43NO6 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: 0 FORMULA: C26H43NO6 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: 0 FORMULA: C82H144N4O39 NON_SPECIFIC_FORMULA: C67H113N4O39R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: -2 FORMULA: C82H142N4O39 NON_SPECIFIC_FORMULA: C67H111N4O39R CHARGE: 0 FORMULA: C76H134N4O34 NON_SPECIFIC_FORMULA: C61H103N4O34R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]1CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C68H121N3O29 NON_SPECIFIC_FORMULA: C53H90N3O29R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]2CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C68H121N3O29 NON_SPECIFIC_FORMULA: C53H90N3O29R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]2CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -3 FORMULA: C10H12N5O11P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O11P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O11P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O11P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C10H12N5O11P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C16H21N5O15P2 SMILES: C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@@H](O)C1=O CHARGE: -2 FORMULA: C16H23N5O15P2 SMILES: C[C@@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O CHARGE: -2 FORMULA: C16H23N5O15P2 SMILES: C[C@@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O CHARGE: -2 FORMULA: C16H23N5O16P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C20H33O7P2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CHARGE: 0 FORMULA: C1779H3237N455O877S14 CHARGE: 0 FORMULA: C6H8O6 SMILES: [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)C=O CHARGE: 0 FORMULA: C6H8O6 SMILES: [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)C=O CHARGE: 0 FORMULA: C6H8O6 SMILES: [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)C=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C18H32O16 CHARGE: 0 FORMULA: C24H42O21 CHARGE: 0 FORMULA: C6H12O6 SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -1 FORMULA: C6H11O7 SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -2 FORMULA: C6H8O8 SMILES: O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O CHARGE: -2 FORMULA: C6H8O8 SMILES: O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O CHARGE: -3 FORMULA: C6H8O10P SMILES: O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)OP(O)(O)=O CHARGE: -1 FORMULA: C6H9O7 CHARGE: -1 FORMULA: C6H9O7 CHARGE: -1 FORMULA: C6H9O7 CHARGE: -1 FORMULA: C6H9O7 CHARGE: 0 FORMULA: C1200026H2200043NO1100006 CHARGE: 0 FORMULA: C5H10N2O3 SMILES: N[C@@H](CCC(N)=O)C(O)=O CHARGE: 0 FORMULA: C5H10N2O3 SMILES: N[C@@H](CCC(N)=O)C(O)=O CHARGE: 0 FORMULA: C5H10N2O3 SMILES: N[C@@H](CCC(N)=O)C(O)=O CHARGE: 0 FORMULA: C5H10N2O3 SMILES: N[C@@H](CCC(N)=O)C(O)=O CHARGE: 0 FORMULA: C1200026H2200045NO1100007S CHARGE: -1 FORMULA: C1200026H2200044NO1100006S CHARGE: -2 FORMULA: C5H8NO7P SMILES: [NH3+][C@@H](CCC(=O)OP([O-])([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C5H9NO3 SMILES: [H]C(=O)CC[C@H](N)C(O)=O CHARGE: -1 FORMULA: C5H8NO4 SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C5H8NO4 SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C5H8NO4 SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C5H8NO4 SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C5H8NO4 SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C8H13N2O5 SMILES: C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O CHARGE: -1 FORMULA: C8H13N2O5S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C40H77NO8 NON_SPECIFIC_FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: -5 FORMULA: C26H37N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC([O-])=O CHARGE: -5 FORMULA: C26H37N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC([O-])=O CHARGE: -1 FORMULA: C2HO3 SMILES: [H]C(=O)C([O-])=O CHARGE: -1 FORMULA: C2HO3 SMILES: [H]C(=O)C([O-])=O CHARGE: -1 FORMULA: C2HO3 SMILES: [H]C(=O)C([O-])=O CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: 0 FORMULA: C3H6O3 SMILES: [H]C(=O)[C@H](O)CO CHARGE: 0 FORMULA: C3H6O3 SMILES: [H]C(=O)[C@H](O)CO CHARGE: 0 FORMULA: C5H11NO2 SMILES: C[N+](C)(C)CC([O-])=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: C[N+](C)(C)CC([O-])=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: C[N+](C)(C)CC([O-])=O CHARGE: -2 FORMULA: C3H7O6P SMILES: OC[C@@H](O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H7O6P SMILES: OC[C@@H](O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H7O6P SMILES: OC[C@@H](O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C3H7O6P SMILES: OC[C@@H](O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C3H5O4 SMILES: OC[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O4 SMILES: OC[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O4 SMILES: OCC(O)C([O-])=O CHARGE: -1 FORMULA: C3H5O4 SMILES: OCC(O)C([O-])=O CHARGE: 0 FORMULA: C3H8O3 SMILES: OCC(O)CO CHARGE: 0 FORMULA: C3H8O3 SMILES: OCC(O)CO CHARGE: 0 FORMULA: C3H8O3 SMILES: OCC(O)CO CHARGE: -1 FORMULA: C2H3O3 SMILES: OCC([O-])=O CHARGE: -1 FORMULA: C2H3O3 SMILES: OCC([O-])=O CHARGE: -1 FORMULA: C2H3O3 SMILES: OCC([O-])=O CHARGE: 0 FORMULA: C4H8N2O3 SMILES: NCC(=O)NCC(O)=O CHARGE: 0 FORMULA: C4H8N2O3 SMILES: NCC(=O)NCC(O)=O CHARGE: 0 FORMULA: C1797H3267N455O892S14 CHARGE: 0 FORMULA: C1797H3267N455O892S14 CHARGE: 0 FORMULA: C1797H3267N455O892S14 CHARGE: 0 FORMULA: C1773H3227N455O872S14 CHARGE: 0 FORMULA: C1749H3187N455O852S14 CHARGE: 0 FORMULA: C1743H3177N455O847S14 CHARGE: 0 FORMULA: C8H16N2O3 CHARGE: 0 FORMULA: C8H16N2O3 CHARGE: 0 FORMULA: C11H14N2O3 CHARGE: 0 FORMULA: C11H14N2O3 CHARGE: 0 FORMULA: C7H12N2O3 SMILES: NCC(=O)N1CCC[C@H]1C(O)=O CHARGE: 0 FORMULA: C7H12N2O3 SMILES: NCC(=O)N1CCC[C@H]1C(O)=O CHARGE: 0 FORMULA: C5H10N2O3 CHARGE: 0 FORMULA: C5H10N2O3 CHARGE: 0 FORMULA: C71H127N3O31 NON_SPECIFIC_FORMULA: C56H96N3O31R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: -1 FORMULA: C71H126N3O31 NON_SPECIFIC_FORMULA: C56H95N3O31R CHARGE: 0 FORMULA: C71H127N3O31 NON_SPECIFIC_FORMULA: C56H96N3O31R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -1 FORMULA: C65H116N3O26 NON_SPECIFIC_FORMULA: C50H85N3O26R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: -1 FORMULA: C65H116N3O26 NON_SPECIFIC_FORMULA: C50H85N3O26R CHARGE: -1 FORMULA: C57H103N2O21 NON_SPECIFIC_FORMULA: C42H72N2O21R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C69H113N11O45 CHARGE: 0 FORMULA: C77H126N12O50 CHARGE: -5 FORMULA: C115H190N7O63 NON_SPECIFIC_FORMULA: C100H159N7O63R CHARGE: -5 FORMULA: C115H190N7O63 NON_SPECIFIC_FORMULA: C100H159N7O63R CHARGE: -5 FORMULA: C115H190N7O63 NON_SPECIFIC_FORMULA: C100H159N7O63R CHARGE: -5 FORMULA: C115H190N7O63 NON_SPECIFIC_FORMULA: C100H159N7O63R CHARGE: -5 FORMULA: C115H190N7O63 NON_SPECIFIC_FORMULA: C100H159N7O63R CHARGE: -5 FORMULA: C115H190N7O63 NON_SPECIFIC_FORMULA: C100H159N7O63R CHARGE: 0 FORMULA: C47H90NO17P NON_SPECIFIC_FORMULA: C32H59NO17PR SMILES: [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)OC([*])=O CHARGE: 0 FORMULA: C87H168N4O42P4 NON_SPECIFIC_FORMULA: C72H137N4O42P4R CHARGE: 0 FORMULA: C87H168N4O42P4 NON_SPECIFIC_FORMULA: C72H137N4O42P4R CHARGE: 0 FORMULA: X CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -4 FORMULA: C104H174N6O55 NON_SPECIFIC_FORMULA: C89H143N6O55R CHARGE: -3 FORMULA: C10H17O7P2 SMILES: CC(C)=CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C10H17O7P2 SMILES: CC(C)=CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CHARGE: 0 FORMULA: C10H13N5O5 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H13N5O5 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H13N5O5 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C10H13N5O5 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C93H161N5O47 NON_SPECIFIC_FORMULA: C78H130N5O47R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C93H161N5O47 NON_SPECIFIC_FORMULA: C78H130N5O47R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C93H161N5O47 NON_SPECIFIC_FORMULA: C78H130N5O47R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -3 FORMULA: C93H158N5O47 NON_SPECIFIC_FORMULA: C78H127N5O47R CHARGE: 0 FORMULA: C93H161N5O47 NON_SPECIFIC_FORMULA: C78H130N5O47R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]1CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -3 FORMULA: C93H158N5O47 NON_SPECIFIC_FORMULA: C78H127N5O47R CHARGE: -3 FORMULA: C87H148N5O42 NON_SPECIFIC_FORMULA: C72H117N5O42R CHARGE: -3 FORMULA: C79H135N4O37 NON_SPECIFIC_FORMULA: C64H104N4O37R CHARGE: -3 FORMULA: C79H135N4O37 NON_SPECIFIC_FORMULA: C64H104N4O37R CHARGE: -2 FORMULA: C20H30N6O12S2 SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C20H30N6O12S2 SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C20H30N6O12S2 SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C10H16N3O6S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C10H16N3O6S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C10H16N3O6S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C10H16N3O6S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C10H16N3O6S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -4 FORMULA: C10H12N5O14P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O14P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O14P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C10H12N5O14P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C5H5N5O SMILES: Nc1nc2[nH]cnc2c(=O)[nH]1 CHARGE: 0 FORMULA: C5H5N5O SMILES: Nc1nc2[nH]cnc2c(=O)[nH]1 CHARGE: 0 FORMULA: C3H7N3O2 SMILES: C(CNC(=N)N)(O)=O CHARGE: 0 FORMULA: C6H10O6 SMILES: [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO CHARGE: 0 FORMULA: C6H10O6 SMILES: [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO CHARGE: -1 FORMULA: C6H11O7 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O CHARGE: -1 FORMULA: C6H11O7 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O CHARGE: 0 FORMULA: C2760000H5060000O2530000 CHARGE: -1 FORMULA: C2760024H5060039O2530004 CHARGE: 0 FORMULA: C2760026H5060043NO2530006 CHARGE: 0 FORMULA: C2760026H5060045NO2530007S CHARGE: 0 FORMULA: H2 SMILES: [H][H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 0 FORMULA: C10H12N2O4 SMILES: N[C@@H](CC(=O)c1cccc(O)c1N)C(O)=O CHARGE: 0 FORMULA: C10H12N2O4 SMILES: N[C@@H](CC(=O)c1cccc(O)c1N)C(O)=O CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: -1 FORMULA: C22H33N2O16 CHARGE: 0 FORMULA: C28H42N2O22 NON_SPECIFIC_FORMULA: (C14H21NO11)n CHARGE: 0 FORMULA: C28H42N2O22 NON_SPECIFIC_FORMULA: (C14H21NO11)n CHARGE: -1 FORMULA: C14H20NO11 SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: C14H20NO11 SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: CHO3 SMILES: OC([O-])=O CHARGE: -1 FORMULA: CHO3 SMILES: OC([O-])=O CHARGE: -1 FORMULA: CHO3 SMILES: OC([O-])=O CHARGE: 0 FORMULA: C9H6O3 SMILES: Oc1ccc2ccc(=O)oc2c1 CHARGE: 0 FORMULA: C9H6O3 SMILES: Oc1ccc2ccc(=O)oc2c1 CHARGE: 0 FORMULA: C4H9NO2S SMILES: N[C@@H](CCS)C(O)=O CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: 0 FORMULA: C23H43NO4 SMILES: CCCCCC\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C23H43NO4 SMILES: CCCCCC\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C23H43NO4 CHARGE: 0 FORMULA: C23H43NO4 CHARGE: 0 FORMULA: C16H29OSR SMILES: CCCCCCCCCCCCC\C=C\C(=O)S[*] CHARGE: -4 FORMULA: C37H52N7O17P3S CHARGE: 0 FORMULA: C28H48N7O17P3S SMILES: CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C18H24O3 CHARGE: 0 FORMULA: C18H24O3 CHARGE: 0 FORMULA: C18H24O3 CHARGE: -1 FORMULA: C26H51O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C26H51O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C47H82N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C47H82N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C47H82N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C33H65NO4 CHARGE: 0 FORMULA: C33H65NO4 CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H60N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: 0 FORMULA: C16H30O4 SMILES: OC(=O)CCCCCCCCCCCCCCC(O)=O CHARGE: 0 FORMULA: C16H30O4 SMILES: OC(=O)CCCCCCCCCCCCCCC(O)=O CHARGE: -5 FORMULA: C37H59N7O19P3S CHARGE: -5 FORMULA: C37H59N7O19P3S CHARGE: -5 FORMULA: C37H59N7O19P3S CHARGE: -4 FORMULA: C37H52N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C27H40N7O17P3S CHARGE: -4 FORMULA: C27H40N7O17P3S CHARGE: -1 FORMULA: C8H7O4 SMILES: Oc1ccc(O)c(CC([O-])=O)c1 CHARGE: 0 FORMULA: C6H9N3O2 SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C6H9N3O2 SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C6H9N3O2 SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C6H9N3O2 SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 1 FORMULA: C5H10N3 SMILES: [NH3+]CCc1c[nH]cn1 CHARGE: 1 FORMULA: C5H10N3 SMILES: [NH3+]CCc1c[nH]cn1 CHARGE: -8 FORMULA: C40H38N4O17 SMILES: OCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC([O-])=O)c4CC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O)c(CCC([O-])=O)c2CC([O-])=O)c(CCC([O-])=O)c1CC([O-])=O CHARGE: -5 FORMULA: C27H39N7O20P3S SMILES: C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C27H39N7O20P3S SMILES: C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C27H39N7O20P3S SMILES: C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C27H39N7O20P3S SMILES: C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C4H9NO3 SMILES: N[C@@H](CCO)C(O)=O CHARGE: 0 FORMULA: C4H9NO3 SMILES: N[C@@H](CCO)C(O)=O CHARGE: -1 FORMULA: C9H9O4 SMILES: COc1cc(CC(O)=O)ccc1O CHARGE: -1 FORMULA: C9H9O4 SMILES: COc1cc(CC(O)=O)ccc1O CHARGE: -1 FORMULA: C17H33O2 SMILES: CCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C17H33O2 SMILES: CCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C38H64N7O17P3S CHARGE: -4 FORMULA: C38H64N7O17P3S CHARGE: 0 FORMULA: C24H47NO4 CHARGE: 0 FORMULA: C24H47NO4 CHARGE: -1 FORMULA: C3H3O4 SMILES: OCC(=O)C([O-])=O CHARGE: -1 FORMULA: C3H3O4 SMILES: OCC(=O)C([O-])=O CHARGE: -1 FORMULA: C3H3O4 SMILES: OCC(=O)C([O-])=O CHARGE: -1 FORMULA: C20H27O3 SMILES: CC(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(C)=C/C(O)=O CHARGE: -1 FORMULA: C20H27O3 SMILES: CC(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(C)=C/C(O)=O CHARGE: -9 FORMULA: C55H80N3O70S8 CHARGE: -8 FORMULA: C55H81N3O67S7 CHARGE: -7 FORMULA: C55H82N3O64S6 CHARGE: -6 FORMULA: C55H83N3O61S5 CHARGE: -7 FORMULA: C57H84N3O62S5 CHARGE: -7 FORMULA: C49H71N2O57S5 CHARGE: -6 FORMULA: C49H72N2O54S4 CHARGE: -5 FORMULA: C43H65N2O48S4 CHARGE: -4 FORMULA: C43H66N2O45S3 CHARGE: -3 FORMULA: C43H67N2O42S2 CHARGE: -12 FORMULA: C79H115N5O99S11 CHARGE: -4 FORMULA: C45H68N2O43S2 CHARGE: -4 FORMULA: C37H55NO38S2 CHARGE: -3 FORMULA: C37H56NO35S CHARGE: -2 FORMULA: C31H49NO29S CHARGE: -1 FORMULA: C31H50NO26 CHARGE: -1 FORMULA: C23H37O21 CHARGE: -11 FORMULA: C79H116N5O96S10 CHARGE: -12 FORMULA: C81H117N5O97S10 CHARGE: -12 FORMULA: C73H104N4O92S10 CHARGE: -11 FORMULA: C67H97N4O86S10 CHARGE: -10 FORMULA: C67H98N4O83S9 CHARGE: -9 FORMULA: C67H99N4O80S8 CHARGE: -10 FORMULA: C69H100N4O81S8 CHARGE: -10 FORMULA: C61H87N3O76S8 CHARGE: -13 FORMULA: C79H114N5O102S12 CHARGE: -5 FORMULA: C82H125N6O79S4 CHARGE: -5 FORMULA: C82H125N6O79S4 CHARGE: -7 FORMULA: C82H123N6O85S6 CHARGE: -10 FORMULA: C82H120N6O94S9 CHARGE: -11 FORMULA: C82H119N6O97S10 CHARGE: -12 FORMULA: C82H118N6O100S11 CHARGE: -1 FORMULA: C34H53N2O27 CHARGE: -2 FORMULA: C40H60N2O33 CHARGE: -2 FORMULA: C48H73N3O38 CHARGE: -3 FORMULA: C54H80N3O44 CHARGE: -3 FORMULA: C62H93N4O49 CHARGE: -4 FORMULA: C68H100N4O55 CHARGE: -4 FORMULA: C76H113N5O60 CHARGE: -5 FORMULA: C82H120N5O66 CHARGE: -5 FORMULA: C90H133N6O71 CHARGE: -13 FORMULA: C82H117N6O103S12 CHARGE: -13 FORMULA: C82H117N6O103S12 CHARGE: -13 FORMULA: C82H117N6O103S12 CHARGE: 0 FORMULA: C47H51NO15 SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)[C@H](O)[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHARGE: 0 FORMULA: C47H51NO15 SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)[C@H](O)[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHARGE: 0 FORMULA: C27H44N7O17P3S SMILES: CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H44N7O17P3S SMILES: CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C5H4N4O SMILES: O=c1[nH]cnc2nc[nH]c12 CHARGE: 0 FORMULA: C5H4N4O SMILES: O=c1[nH]cnc2nc[nH]c12 CHARGE: 0 FORMULA: C5H4N4O SMILES: O=c1[nH]cnc2nc[nH]c12 CHARGE: 0 FORMULA: C5H4N4O SMILES: O=c1[nH]cnc2nc[nH]c12 CHARGE: -4 FORMULA: C27H42N7O17P3S SMILES: CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C27H42N7O17P3S SMILES: CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C27H42N7O17P3S SMILES: CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C16H32O SMILES: [H]C(=O)CCCCCCCCCCCCCCC CHARGE: 0 FORMULA: C16H32O SMILES: [H]C(=O)CCCCCCCCCCCCCCC CHARGE: 0 FORMULA: C2H7NO2S SMILES: NCCS(O)=O CHARGE: 0 FORMULA: C2H7NO2S SMILES: NCCS(O)=O CHARGE: -1 FORMULA: I SMILES: [I-] CHARGE: -1 FORMULA: I SMILES: [I-] CHARGE: -4 FORMULA: C25H38N7O17P3S SMILES: CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(C(CC([O-])=O)C([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(C(CC([O-])=O)C([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(C(CC([O-])=O)C([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C10H9NO SMILES: O=CCc1c[nH]c2ccccc12 CHARGE: 0 FORMULA: C10H9NO SMILES: O=CCc1c[nH]c2ccccc12 CHARGE: -1 FORMULA: C6H9O7 SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C6H9O7 SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C6H9O7 SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -3 FORMULA: C10H11N4O11P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -3 FORMULA: C10H11N4O11P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -3 FORMULA: C10H11N4O11P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -3 FORMULA: C10H11N4O11P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC[C@H](C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC[C@H](C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC[C@H](C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC[C@H](C)[C@H](N)C(O)=O CHARGE: -1 FORMULA: C5H5N2O2 SMILES: [O-]C(=O)Cc1c[nH]cn1 CHARGE: -1 FORMULA: C5H5N2O2 SMILES: [O-]C(=O)Cc1c[nH]cn1 CHARGE: 0 FORMULA: C5H6N2O SMILES: O=CCc1c[nH]cn1 CHARGE: 0 FORMULA: C5H6N2O SMILES: O=CCc1c[nH]cn1 CHARGE: -2 FORMULA: C10H11N4O8P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -2 FORMULA: C10H11N4O8P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -2 FORMULA: C10H11N4O8P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -1 FORMULA: C10H8NO2 SMILES: [O-]C(=O)Cc1c[nH]c2ccccc12 CHARGE: -1 FORMULA: C10H8NO2 SMILES: [O-]C(=O)Cc1c[nH]c2ccccc12 CHARGE: 0 FORMULA: C6H12O6 SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C10H12N4O5 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12 CHARGE: 0 FORMULA: C10H12N4O5 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12 CHARGE: 0 FORMULA: C10H12N4O5 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12 CHARGE: 0 FORMULA: C10H12N4O5 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12 CHARGE: 0 FORMULA: I2 SMILES: II CHARGE: -3 FORMULA: C5H9O7P2 SMILES: CC(=C)CCOP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C5H9O7P2 SMILES: CC(=C)CCOP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: C5H9O7P2 SMILES: CC(=C)CCOP([O-])(=O)OP([O-])([O-])=O CHARGE: -5 FORMULA: C26H35N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=C)C([O-])=O CHARGE: -2 FORMULA: C5H4O4 SMILES: [O-]C(=O)CC(=C)C([O-])=O CHARGE: -4 FORMULA: C10H11N4O14P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C10H11N4O14P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C10H11N4O14P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C10H11N4O14P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -4 FORMULA: C26H40N7O17P3S SMILES: CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C26H40N7O17P3S SMILES: CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C12H23NO4 CHARGE: 0 FORMULA: C12H23NO4 CHARGE: 1 FORMULA: K SMILES: [K+] CHARGE: 1 FORMULA: K SMILES: [K+] CHARGE: 1 FORMULA: K SMILES: [K+] CHARGE: -1 FORMULA: C9H15O9 CHARGE: -3 FORMULA: C9H14O12P CHARGE: -9 FORMULA: C188H302N13O163S9 CHARGE: -9 FORMULA: C180H289N12O158S9 CHARGE: -9 FORMULA: C174H279N12O153S9 CHARGE: -8 FORMULA: C174H280N12O150S8 CHARGE: -8 FORMULA: C166H267N11O145S8 CHARGE: -8 FORMULA: C160H257N11O140S8 CHARGE: -7 FORMULA: C160H258N11O137S7 CHARGE: -7 FORMULA: C152H245N10O132S7 CHARGE: -7 FORMULA: C146H235N10O127S7 CHARGE: -6 FORMULA: C146H236N10O124S6 CHARGE: -13 FORMULA: C245H388N19O211S12 CHARGE: -13 FORMULA: C245H388N19O211S12 CHARGE: -6 FORMULA: C138H223N9O119S6 CHARGE: -6 FORMULA: C132H213N9O114S6 CHARGE: -5 FORMULA: C132H214N9O111S5 CHARGE: -5 FORMULA: C124H201N8O106S5 CHARGE: -5 FORMULA: C118H191N8O101S5 CHARGE: -4 FORMULA: C118H192N8O98S4 CHARGE: -4 FORMULA: C110H179N7O93S4 CHARGE: -4 FORMULA: C104H169N7O88S4 CHARGE: -3 FORMULA: C104H170N7O85S3 CHARGE: -3 FORMULA: C96H157N6O80S3 CHARGE: -13 FORMULA: C241H384N17O210S12 CHARGE: -3 FORMULA: C90H147N6O75S3 CHARGE: -2 FORMULA: C90H148N6O72S2 CHARGE: -2 FORMULA: C82H135N5O67S2 CHARGE: -2 FORMULA: C76H125N5O62S2 CHARGE: -1 FORMULA: C76H126N5O59S CHARGE: -1 FORMULA: C68H113N4O54S CHARGE: -1 FORMULA: C62H103N4O49S CHARGE: 0 FORMULA: C62H104N4O46 CHARGE: 0 FORMULA: C54H91N3O41 CHARGE: 0 FORMULA: C48H81N3O36 CHARGE: -13 FORMULA: C233H371N16O205S12 CHARGE: 0 FORMULA: C40H68N2O31 CHARGE: 0 FORMULA: C34H58N2O26 CHARGE: -12 FORMULA: C222H355N15O197S12 CHARGE: -11 FORMULA: C222H356N15O194S11 CHARGE: -11 FORMULA: C210H336N15O184S11 CHARGE: -10 FORMULA: C210H337N15O181S10 CHARGE: -10 FORMULA: C194H311N13O171S10 CHARGE: -10 FORMULA: C188H301N13O166S10 CHARGE: -13 FORMULA: C251H398N19O215S12 CHARGE: -13 FORMULA: C251H398N19O215S12 CHARGE: -13 FORMULA: C251H398N19O215S12 CHARGE: -3 FORMULA: C133H214N11O100S2 CHARGE: -4 FORMULA: C133H213N11O103S3 CHARGE: -4 FORMULA: C139H223N11O108S3 CHARGE: -4 FORMULA: C147H236N12O113S3 CHARGE: -5 FORMULA: C147H235N12O116S4 CHARGE: -5 FORMULA: C153H245N12O121S4 CHARGE: -5 FORMULA: C161H258N13O126S4 CHARGE: -6 FORMULA: C161H257N13O129S5 CHARGE: -6 FORMULA: C167H267N13O134S5 CHARGE: -6 FORMULA: C175H280N14O139S5 CHARGE: -1 FORMULA: C83H134N7O59 CHARGE: -7 FORMULA: C175H279N14O142S6 CHARGE: -7 FORMULA: C181H289N14O147S6 CHARGE: -7 FORMULA: C189H302N15O152S6 CHARGE: -8 FORMULA: C189H301N15O155S7 CHARGE: -8 FORMULA: C195H311N15O160S7 CHARGE: -8 FORMULA: C203H324N16O165S7 CHARGE: -9 FORMULA: C203H323N16O168S8 CHARGE: -9 FORMULA: C209H333N16O173S8 CHARGE: -9 FORMULA: C217H346N17O178S8 CHARGE: -10 FORMULA: C217H345N17O181S9 CHARGE: -1 FORMULA: C91H147N8O64 CHARGE: -10 FORMULA: C223H355N17O186S9 CHARGE: -10 FORMULA: C231H368N18O191S9 CHARGE: -11 FORMULA: C231H367N18O194S10 CHARGE: -11 FORMULA: C237H377N18O199S10 CHARGE: -11 FORMULA: C245H390N19O204S10 CHARGE: -12 FORMULA: C245H389N19O207S11 CHARGE: -12 FORMULA: C251H399N19O212S11 CHARGE: -1 FORMULA: C97H157N8O69 CHARGE: -1 FORMULA: C105H170N9O74 CHARGE: -2 FORMULA: C105H169N9O77S CHARGE: -2 FORMULA: C111H179N9O82S CHARGE: -2 FORMULA: C119H192N10O87S CHARGE: -3 FORMULA: C119H191N10O90S2 CHARGE: -3 FORMULA: C125H201N10O95S2 CHARGE: -3 FORMULA: C117H189N14O89S3 CHARGE: -2 FORMULA: C117H190N14O86S2 CHARGE: -2 FORMULA: C105H170N14O76S2 CHARGE: -1 FORMULA: C105H171N14O73S CHARGE: -1 FORMULA: C97H158N13O68S CHARGE: -1 FORMULA: C91H148N13O63S CHARGE: 0 FORMULA: C91H149N13O60 CHARGE: 0 FORMULA: C83H136N12O55 CHARGE: 0 FORMULA: C77H126N12O50 CHARGE: -4 FORMULA: C128H205N15O97S3 CHARGE: -4 FORMULA: C128H205N15O97S3 CHARGE: -4 FORMULA: C128H205N15O97S3 CHARGE: -3 FORMULA: C128H206N15O94S2 CHARGE: -1 FORMULA: C80H129N12O53 CHARGE: -1 FORMULA: C86H139N12O58 CHARGE: -1 FORMULA: C94H152N13O63 CHARGE: -1 FORMULA: C100H162N13O68 CHARGE: -1 FORMULA: C108H175N14O73 CHARGE: -2 FORMULA: C108H174N14O76S CHARGE: -2 FORMULA: C114H184N14O81S CHARGE: -2 FORMULA: C122H197N15O86S CHARGE: -3 FORMULA: C122H196N15O89S2 CHARGE: -3 FORMULA: C125H202N15O94S3 CHARGE: -2 FORMULA: C125H203N15O91S2 CHARGE: -2 FORMULA: C113H183N15O81S2 CHARGE: -1 FORMULA: C113H184N15O78S CHARGE: -4 FORMULA: C136H218N16O102S3 CHARGE: -4 FORMULA: C136H218N16O102S3 CHARGE: -4 FORMULA: C136H218N16O102S3 CHARGE: -3 FORMULA: C136H219N16O99S2 CHARGE: 0 FORMULA: C83H136N12O55 CHARGE: -1 FORMULA: C94H152N13O63 CHARGE: -1 FORMULA: C102H165N14O68 CHARGE: -1 FORMULA: C108H175N14O73 CHARGE: -1 FORMULA: C116H188N15O78 CHARGE: -2 FORMULA: C116H187N15O81S CHARGE: -2 FORMULA: C122H197N15O86S CHARGE: -2 FORMULA: C130H210N16O91S CHARGE: -3 FORMULA: C130H209N16O94S2 CHARGE: -1 FORMULA: C10H6NO3 SMILES: Oc1cc(nc2ccccc12)C([O-])=O CHARGE: -1 FORMULA: C10H6NO3 SMILES: Oc1cc(nc2ccccc12)C([O-])=O CHARGE: 0 FORMULA: C72H118N6O51 CHARGE: 0 FORMULA: C54H91N3O41 CHARGE: 0 FORMULA: C54H91N3O41 CHARGE: 0 FORMULA: C20H35NO17 CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@H](O)C([O-])=O CHARGE: 0 FORMULA: C3H6O2 SMILES: [H]C(=O)[C@@H](C)O CHARGE: 0 FORMULA: C3H6O2 SMILES: [H]C(=O)[C@@H](C)O CHARGE: 0 FORMULA: C3H6O2 SMILES: [H]C(=O)[C@H](C)O CHARGE: 0 FORMULA: C3H6O2 SMILES: [H]C(=O)[C@H](C)O CHARGE: 0 FORMULA: C30H50O SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 CHARGE: 0 FORMULA: C30H50O SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 CHARGE: 0 FORMULA: C30H50O SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC(C)C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC(C)C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC(C)C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC(C)C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C8H16N2O3 CHARGE: 0 FORMULA: C8H16N2O3 CHARGE: -1 FORMULA: C20H29O3 SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC([O-])=O CHARGE: -1 FORMULA: C20H29O3 SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC([O-])=O CHARGE: -1 FORMULA: C20H29O3 SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC([O-])=O CHARGE: -1 FORMULA: C20H29O3 SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C20H28O6 SMILES: C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C30H45N3O9S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C30H45N3O9S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C30H45N3O9S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C25H39N2O6S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C25H39N2O6S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C25H39N2O6S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C23H36NO5S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H]([NH3+])C([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C23H36NO5S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H]([NH3+])C([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C23H36NO5S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H]([NH3+])C([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C23H36NO5S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H]([NH3+])C([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C28H42N2O8S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O CHARGE: -2 FORMULA: C28H42N2O8S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O CHARGE: 0 FORMULA: C12H24N2O3 CHARGE: 0 FORMULA: C12H24N2O3 CHARGE: -1 FORMULA: C24H47O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C24H47O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C24H47O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C24H47O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C45H78N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H78N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H78N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H61NO4 CHARGE: 0 FORMULA: C31H61NO4 CHARGE: -1 FORMULA: C13H20N3O8S SMILES: C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O CHARGE: -1 FORMULA: C13H20N3O8S SMILES: C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O CHARGE: 0 FORMULA: C10H16 SMILES: CC(=C)C1CCC(C)=CC1 CHARGE: 0 FORMULA: C10H16 SMILES: CC(=C)C1CCC(C)=CC1 CHARGE: -1 FORMULA: C8H13O2S2 SMILES: [O-]C(=O)CCCCC1CCSS1 CHARGE: -1 FORMULA: C8H13O2S2 SMILES: [O-]C(=O)CCCCC1CCSS1 CHARGE: 0 FORMULA: C18H31OSR CHARGE: -1 FORMULA: C18H31O2 CHARGE: -1 FORMULA: C18H31O2 CHARGE: -4 FORMULA: C39H62N7O17P3S CHARGE: -4 FORMULA: C39H62N7O17P3S CHARGE: 0 FORMULA: C25H45NO4 SMILES: CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C25H45NO4 SMILES: CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C18H31OSR CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -4 FORMULA: C39H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H62N7O17P3S SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H45NO4 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C25H45NO4 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C18H29O2 SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H43NO4 CHARGE: 0 FORMULA: C25H43NO4 CHARGE: -1 FORMULA: C18H29O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H60N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H43NO4 CHARGE: 0 FORMULA: C25H43NO4 CHARGE: 0 FORMULA: C8H15NOS2 SMILES: NC(=O)CCCCC1CCSS1 CHARGE: 0 FORMULA: C24H50NO7P NON_SPECIFIC_FORMULA: C9H19NO7PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(CO)OC([*])=O CHARGE: 0 FORMULA: C24H50NO7P NON_SPECIFIC_FORMULA: C9H19NO7PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(CO)OC([*])=O CHARGE: 0 FORMULA: C8H14NOS2R CHARGE: 0 FORMULA: C27H46O SMILES: [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 CHARGE: 0 FORMULA: C27H46O SMILES: [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 CHARGE: 0 FORMULA: C27H44O CHARGE: 0 FORMULA: C14H25NO12 CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: -1 FORMULA: C5H9O6 CHARGE: 0 FORMULA: C48H84N2O27P2 NON_SPECIFIC_FORMULA: C48H84N2O27P2(C5H8)n CHARGE: 0 FORMULA: C83H156N2O36P2 NON_SPECIFIC_FORMULA: C68H125N2O36P2R CHARGE: 0 FORMULA: C75H140NO28P NON_SPECIFIC_FORMULA: C60H109NO28PR CHARGE: 0 FORMULA: C26H45NO21 CHARGE: 0 FORMULA: C26H45NO21 CHARGE: 0 FORMULA: C54H94N2O32P2 NON_SPECIFIC_FORMULA: C54H94N2O32P2(C5H8)n CHARGE: 0 FORMULA: C89H166N2O41P2 NON_SPECIFIC_FORMULA: C74H135N2O41P2R CHARGE: 0 FORMULA: C81H150NO33P NON_SPECIFIC_FORMULA: C66H119NO33PR CHARGE: 0 FORMULA: C60H104N2O37P2 NON_SPECIFIC_FORMULA: C60H104N2O37P2(C5H8)n CHARGE: 0 FORMULA: C50H82N4O37 CHARGE: 0 FORMULA: C66H114N2O42P2 NON_SPECIFIC_FORMULA: C66H114N2O42P2(C5H8)n CHARGE: 0 FORMULA: C66H114N2O42P2 NON_SPECIFIC_FORMULA: C66H114N2O42P2(C5H8)n CHARGE: 0 FORMULA: C56H92N4O42 CHARGE: 0 FORMULA: C56H92N4O42 CHARGE: 0 FORMULA: C56H92N4O42 CHARGE: 0 FORMULA: C72H124N2O47P2 NON_SPECIFIC_FORMULA: C72H124N2O47P2(C5H8)n CHARGE: 0 FORMULA: C62H102N4O47 CHARGE: 0 FORMULA: C62H102N4O47 CHARGE: 0 FORMULA: C62H102N4O47 CHARGE: 0 FORMULA: C62H102N4O47 CHARGE: 0 FORMULA: C78H134N2O52P2 NON_SPECIFIC_FORMULA: C78H134N2O52P2(C5H8)n CHARGE: 0 FORMULA: C68H112N4O52 CHARGE: 0 FORMULA: C68H112N4O52 CHARGE: 0 FORMULA: C68H112N4O52 CHARGE: 0 FORMULA: C68H112N4O52 CHARGE: 0 FORMULA: C84H144N2O57P2 NON_SPECIFIC_FORMULA: C84H144N2O57P2(C5H8)n CHARGE: 0 FORMULA: C74H122N4O57 CHARGE: 0 FORMULA: C74H122N4O57 CHARGE: 0 FORMULA: C90H154N2O62P2 NON_SPECIFIC_FORMULA: C90H154N2O62P2(C5H8)n CHARGE: 0 FORMULA: C93H178N4O47P4 NON_SPECIFIC_FORMULA: C78H147N4O47P4R CHARGE: 0 FORMULA: C93H178N4O47P4 NON_SPECIFIC_FORMULA: C78H147N4O47P4R CHARGE: 0 FORMULA: C93H178N4O47P4 NON_SPECIFIC_FORMULA: C78H147N4O47P4R CHARGE: 0 FORMULA: C19H38O4 NON_SPECIFIC_FORMULA: C4H7O4R SMILES: [*]OCC(CO[*])O[*] CHARGE: 0 FORMULA: C19H38O4 NON_SPECIFIC_FORMULA: C4H7O4R SMILES: [*]OCC(CO[*])O[*] CHARGE: 0 FORMULA: C3H3O3SR SMILES: OC(=O)CC(=O)S[*] CHARGE: 0 FORMULA: C3H3O3SR SMILES: OC(=O)CC(=O)S[*] CHARGE: -2 FORMULA: C4H4O5 SMILES: O[C@@H](CC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C4H4O5 SMILES: O[C@@H](CC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C4H4O5 SMILES: O[C@@H](CC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C4H4O5 SMILES: O[C@@H](CC([O-])=O)C([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C42H72O36 CHARGE: 0 FORMULA: C42H72O36 CHARGE: 0 FORMULA: C36H62O31 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C36H62O31 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C30H52O26 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C30H52O26 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C18H32O16 SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C18H32O16 SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C18H32O16 SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C24H42O21 SMILES: OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O CHARGE: 0 FORMULA: C24H42O21 SMILES: OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O CHARGE: -2 FORMULA: C6H11O9P SMILES: OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C6H11O9P CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: -1 FORMULA: C9H6NO4 CHARGE: 0 FORMULA: C13H16N2O2 SMILES: COc1ccc2[nH]cc(CCNC(C)=O)c2c1 CHARGE: 0 FORMULA: C91H172N3O44P3 NON_SPECIFIC_FORMULA: C76H141N3O44P3R CHARGE: 0 FORMULA: C91H172N3O44P3 NON_SPECIFIC_FORMULA: C76H141N3O44P3R CHARGE: 0 FORMULA: C77H146N2O31P2 NON_SPECIFIC_FORMULA: C62H115N2O31P2R CHARGE: 0 FORMULA: CH4O SMILES: CO CHARGE: 0 FORMULA: CH4O SMILES: CO CHARGE: 0 FORMULA: CH4O SMILES: CO CHARGE: 0 FORMULA: CH4O SMILES: CO CHARGE: 1 FORMULA: C10H16NO3 SMILES: CNC[C@H](O)c1ccc(O)c(OC)c1 CHARGE: 1 FORMULA: C10H16NO3 SMILES: CNC[C@H](O)c1ccc(O)c(OC)c1 CHARGE: -1 FORMULA: C3H5O3S SMILES: O[C@@H](CS)C(O)=O CHARGE: -1 FORMULA: C6H10O5S2N CHARGE: -1 FORMULA: C6H10O5S2N CHARGE: -1 FORMULA: C3H3O3S SMILES: [O-]C(=O)C(=O)CS CHARGE: -1 FORMULA: C3H3O3S SMILES: [O-]C(=O)C(=O)CS CHARGE: -5 FORMULA: C26H35N7O19P3S SMILES: C\C(=C/C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -2 FORMULA: C5H4O4 SMILES: C\C(=C/C([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C5H11NO2S SMILES: CSCC[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2S SMILES: CSCC[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2S SMILES: CSCC[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2S SMILES: CSCC[C@H](N)C(O)=O CHARGE: -1 FORMULA: C20H20N7O6 SMILES: [H][C@]12CNc3nc(N)[nH]c(=O)c3[N+]1=CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C20H20N7O6 SMILES: [H][C@]12CNc3nc(N)[nH]c(=O)c3[N+]1=CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C6H11O4 SMILES: C[C@@](O)(CCO)CC([O-])=O CHARGE: -1 FORMULA: C6H11O4 SMILES: C[C@@](O)(CCO)CC([O-])=O CHARGE: -1 FORMULA: C6H11O4 SMILES: C[C@@](O)(CCO)CC([O-])=O CHARGE: 0 FORMULA: C69H130NO23P NON_SPECIFIC_FORMULA: C54H99NO23PR CHARGE: 1 FORMULA: C6H12N3 SMILES: Cn1cnc(CC[NH3+])c1 CHARGE: -10 FORMULA: C6H7O21P5 SMILES: O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -10 FORMULA: C6H7O21P5 SMILES: O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -8 FORMULA: C6H8O18P4 SMILES: O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O CHARGE: -8 FORMULA: C6H8O18P4 SMILES: O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O CHARGE: -8 FORMULA: C6H8O18P4 SMILES: O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -8 FORMULA: C6H8O18P4 SMILES: O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -6 FORMULA: C6H9O15P3 SMILES: O[C@@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O CHARGE: -4 FORMULA: C6H10O12P2 SMILES: O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O CHARGE: -8 FORMULA: C6H8O18P4 SMILES: O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -6 FORMULA: C6H9O15P3 SMILES: O[C@@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1OP([O-])([O-])=O CHARGE: -6 FORMULA: C6H9O15P3 SMILES: O[C@@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1OP([O-])([O-])=O CHARGE: -4 FORMULA: C6H10O12P2 SMILES: O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1OP([O-])([O-])=O CHARGE: -4 FORMULA: C6H10O12P2 SMILES: O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1OP([O-])([O-])=O CHARGE: -2 FORMULA: C6H11O9P SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O CHARGE: -2 FORMULA: C6H11O9P SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O CHARGE: -8 FORMULA: C6H8O18P4 SMILES: O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O CHARGE: -4 FORMULA: C6H10O12P2 SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O CHARGE: -2 FORMULA: C6H11O9P SMILES: O[C@H]1[C@H](O)[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C6H11O9P SMILES: O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O CHARGE: -3 FORMULA: C7H7O7 SMILES: C[C@@](O)([C@H](CC([O-])=O)C([O-])=O)C([O-])=O CHARGE: -12 FORMULA: C6H6O24P6 SMILES: [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O CHARGE: -12 FORMULA: C6H6O24P6 SMILES: [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O CHARGE: -2 FORMULA: C20H21N7O6 SMILES: [H][C@]12CNc3nc(N)[nH]c(=O)c3N1CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: -2 FORMULA: C20H21N7O6 SMILES: [H][C@]12CNc3nc(N)[nH]c(=O)c3N1CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: 1 FORMULA: CH6N SMILES: C[NH3+] CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: C[C@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: C[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: C[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: C[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C14H25NO11 CHARGE: 0 FORMULA: C14H25NO11 CHARGE: 0 FORMULA: C42H74N2O22P2 NON_SPECIFIC_FORMULA: C32H58N2O22P2(C5H8)n CHARGE: -1 FORMULA: C3H3O3 SMILES: [H]C(=O)CC([O-])=O CHARGE: -1 FORMULA: C3H3O3 SMILES: [H]C(=O)CC([O-])=O CHARGE: 0 FORMULA: C3H4O2 SMILES: [H]C(=O)C(C)=O CHARGE: 0 FORMULA: C3H4O2 SMILES: [H]C(=O)C(C)=O CHARGE: 0 FORMULA: C14H27OSR SMILES: CCCCCCCCCCCCCC(=O)S[*] CHARGE: 0 FORMULA: C54H88N6O37 CHARGE: 0 FORMULA: C42H71N3O31 CHARGE: 0 FORMULA: C58H97N5O41 CHARGE: 0 FORMULA: C58H97N5O41 CHARGE: 0 FORMULA: C62H101N7O42 CHARGE: 0 FORMULA: C62H101N7O42 CHARGE: 0 FORMULA: C62H101N7O42 CHARGE: 0 FORMULA: C50H84N4O36 CHARGE: 0 FORMULA: C50H84N4O36 CHARGE: 0 FORMULA: C62H101N7O42 CHARGE: 0 FORMULA: C6H11NO2 SMILES: [H]C(=O)CCCNC(C)=O CHARGE: 0 FORMULA: C6H11NO2 SMILES: [H]C(=O)CCCNC(C)=O CHARGE: 0 FORMULA: C70H114N8O47 CHARGE: 0 FORMULA: C78H127N9O52 CHARGE: 2 FORMULA: C9H23N3O SMILES: CC(=O)NCCCC[NH2+]CCC[NH3+] CHARGE: 1 FORMULA: Na SMILES: [Na+] CHARGE: 1 FORMULA: Na SMILES: [Na+] CHARGE: 1 FORMULA: Na SMILES: [Na+] CHARGE: 1 FORMULA: Na SMILES: [Na+] CHARGE: 1 FORMULA: Na SMILES: [Na+] CHARGE: -1 FORMULA: C6H4NO2 SMILES: OC(=O)c1cccnc1 CHARGE: -1 FORMULA: C6H4NO2 SMILES: OC(=O)c1cccnc1 CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C21H27N7O14P2 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C21H27N7O14P2 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C21H27N7O14P2 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C21H27N7O14P2 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C21H26N7O17P3 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C21H26N7O17P3 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C21H26N7O17P3 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C21H26N7O17P3 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C21H26N7O17P3 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C21H26N7O17P3 SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C28H51NO12P2 NON_SPECIFIC_FORMULA: C28H51NO12P2(C5H8)n CHARGE: 0 FORMULA: C6H6N2O SMILES: NC(=O)c1cccnc1 CHARGE: 0 FORMULA: C6H6N2O SMILES: NC(=O)c1cccnc1 CHARGE: -1 FORMULA: C8H6NO3 SMILES: [O-]C(=O)c1ccccc1NC=O CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: 0 FORMULA: C11H13NO6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(c1)C([O-])=O CHARGE: -2 FORMULA: C11H12NO9P SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)[n+]1cccc(c1)C([O-])=O CHARGE: -2 FORMULA: C11H12NO9P SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)[n+]1cccc(c1)C([O-])=O CHARGE: -2 FORMULA: C11H12NO9P SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)[n+]1cccc(c1)C([O-])=O CHARGE: 0 FORMULA: C46H75N5O32 CHARGE: 0 FORMULA: C58H95N5O42 CHARGE: -1 FORMULA: C11H14N2O8P SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C11H14N2O8P SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C11H14N2O8P SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 2 FORMULA: C5H16N2 SMILES: C[NH2+]CCCC[NH3+] CHARGE: 1 FORMULA: C11H15N2O SMILES: CNCCc1c[nH]c2ccc(O)cc12 CHARGE: -1 FORMULA: NO2 SMILES: [O-]N=O CHARGE: -1 FORMULA: NO2 SMILES: [O-]N=O CHARGE: -1 FORMULA: NO2 SMILES: [O-]N=O CHARGE: -1 FORMULA: NO2 SMILES: [O-]N=O CHARGE: 0 FORMULA: NO SMILES: [N]=O CHARGE: 0 FORMULA: NO SMILES: [N]=O CHARGE: 0 FORMULA: C30H52N7O17P3S SMILES: CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C9H14NO3 CHARGE: 0 FORMULA: C10H8 SMILES: c1ccc2ccccc2c1 CHARGE: 0 FORMULA: C10H8 SMILES: c1ccc2ccccc2c1 CHARGE: 1 FORMULA: C8H12NO3 SMILES: NCC(O)c1ccc(O)c(O)c1 CHARGE: 1 FORMULA: C8H12NO3 SMILES: NCC(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H11NO6S CHARGE: 0 FORMULA: C8H11NO6S CHARGE: -1 FORMULA: C24H45O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C24H45O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C45H76N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H76N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H76N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H59NO4 CHARGE: 0 FORMULA: C31H59NO4 CHARGE: -2 FORMULA: C5H13NO3P CHARGE: 1 FORMULA: C6H15N4O3 SMILES: NC(CCCN\C(N)=N/O)C(O)=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: -1 FORMULA: O2 SMILES: [O][O-] CHARGE: -1 FORMULA: O2 SMILES: [O][O-] CHARGE: -1 FORMULA: O2 SMILES: [O][O-] CHARGE: -1 FORMULA: O2 SMILES: [O][O-] CHARGE: -1 FORMULA: O2 SMILES: [O][O-] CHARGE: -2 FORMULA: C4H2O5 SMILES: [O-]C(=O)CC(=O)C([O-])=O CHARGE: -2 FORMULA: C4H2O5 SMILES: [O-]C(=O)CC(=O)C([O-])=O CHARGE: -2 FORMULA: C4H2O5 SMILES: [O-]C(=O)CC(=O)C([O-])=O CHARGE: -2 FORMULA: C70H121N3O30 NON_SPECIFIC_FORMULA: C55H90N3O30R CHARGE: -2 FORMULA: C70H121N3O30 NON_SPECIFIC_FORMULA: C55H90N3O30R CHARGE: -2 FORMULA: C70H121N3O30 NON_SPECIFIC_FORMULA: C55H90N3O30R CHARGE: -3 FORMULA: C81H137N4O38 NON_SPECIFIC_FORMULA: C66H106N4O38R CHARGE: -3 FORMULA: C81H137N4O38 NON_SPECIFIC_FORMULA: C66H106N4O38R CHARGE: -3 FORMULA: C81H137N4O38 NON_SPECIFIC_FORMULA: C66H106N4O38R CHARGE: -4 FORMULA: C29H46N7O17P3S SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C29H46N7O17P3S SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C29H46N7O17P3S SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C18H35OSR CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: 0 FORMULA: C18H31OSR SMILES: CCCCCCCCC#CCCCCCCCC(=O)S* CHARGE: -1 FORMULA: C18H31O2 SMILES: [O-]C([*])=O CHARGE: 0 FORMULA: C25H47NO4 CHARGE: 0 FORMULA: C25H47NO4 CHARGE: -1 FORMULA: C8H15O2 SMILES: C(CCCCCC)C(=O)[O-] CHARGE: -1 FORMULA: C8H15O2 SMILES: C(CCCCCC)C(=O)[O-] CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H47NO4 CHARGE: 0 FORMULA: C25H47NO4 CHARGE: -4 FORMULA: C29H44N7O17P3S CHARGE: -4 FORMULA: C29H44N7O17P3S CHARGE: 0 FORMULA: C18H33OSR SMILES: CCCCCC\C=C/CCCCCCCCCC(=O)S* CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: OH CHARGE: 0 FORMULA: OH CHARGE: 0 FORMULA: C17H19N3O3S CHARGE: 0 FORMULA: C17H19N3O3S CHARGE: -1 FORMULA: C10H19O3 CHARGE: -1 FORMULA: C10H19O3 CHARGE: -1 FORMULA: C22H43O3 SMILES: OCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C22H43O3 SMILES: OCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H31O3 SMILES: OCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C10H8O SMILES: O1C2C=Cc3ccccc3C12 CHARGE: 0 FORMULA: C10H8O SMILES: O1C2C=Cc3ccccc3C12 CHARGE: -3 FORMULA: C20H25O3 CHARGE: -3 FORMULA: C20H25O3 CHARGE: 1 FORMULA: C5H13N2O2 SMILES: [NH3+]CCC[C@@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C5H13N2O2 SMILES: NCCCC(N)C(O)=O CHARGE: 1 FORMULA: C5H13N2O2 SMILES: NCCCC(N)C(O)=O CHARGE: 1 FORMULA: C5H13N2O2 SMILES: NCCCC(N)C(O)=O CHARGE: -3 FORMULA: C10H10N2O11P SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1c(cc(=O)[nH]c1=O)C([O-])=O CHARGE: -1 FORMULA: C5H3N2O4 SMILES: [O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 CHARGE: -1 FORMULA: C5H3N2O4 SMILES: [O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 CHARGE: -2 FORMULA: C2O4 SMILES: [O-]C(=O)C([O-])=O CHARGE: -2 FORMULA: C2O4 SMILES: [O-]C(=O)C([O-])=O CHARGE: -2 FORMULA: C2O4 SMILES: [O-]C(=O)C([O-])=O CHARGE: -2 FORMULA: C2O4 SMILES: [O-]C(=O)C([O-])=O CHARGE: -2 FORMULA: C35H67O8P NON_SPECIFIC_FORMULA: C20H36O8PR SMILES: [O-]P([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -2 FORMULA: C35H67O8P NON_SPECIFIC_FORMULA: C20H36O8PR SMILES: [O-]P([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -2 FORMULA: C35H67O8P NON_SPECIFIC_FORMULA: C5H5O8PR2 SMILES: [O-]P([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -2 FORMULA: C35H67O8P NON_SPECIFIC_FORMULA: C20H36O8PR SMILES: [O-]P([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -2 FORMULA: C35H67O8P NON_SPECIFIC_FORMULA: C20H36O8PR SMILES: [O-]P([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -1 FORMULA: C8H7O2 SMILES: [O-]C(=O)Cc1ccccc1 CHARGE: -1 FORMULA: C8H7O2 SMILES: [O-]C(=O)Cc1ccccc1 CHARGE: 0 FORMULA: C8H8O SMILES: [H]C(=O)Cc1ccccc1 CHARGE: 0 FORMULA: C8H8O SMILES: [H]C(=O)Cc1ccccc1 CHARGE: 0 FORMULA: C10H21NO7PR SMILES: CC(=O)O[C@H](CO[*])COP([O-])(=O)OCC[N+](C)(C)C CHARGE: 0 FORMULA: C10H21NO7PR SMILES: CC(=O)O[C@H](CO[*])COP([O-])(=O)OCC[N+](C)(C)C CHARGE: -7 FORMULA: C41H75O22P4 NON_SPECIFIC_FORMULA: C26H44O22P4R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -7 FORMULA: C41H75O22P4 NON_SPECIFIC_FORMULA: C26H44O22P4R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -7 FORMULA: C41H75O22P4 NON_SPECIFIC_FORMULA: C26H44O22P4R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -7 FORMULA: C41H75O22P4 NON_SPECIFIC_FORMULA: C26H44O22P4R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -5 FORMULA: C41H76O19P3 NON_SPECIFIC_FORMULA: C26H45O19P3R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -5 FORMULA: C41H76O19P3 NON_SPECIFIC_FORMULA: C26H45O19P3R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -5 FORMULA: C11H14O19P3R2 SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -5 FORMULA: C41H76O19P3 NON_SPECIFIC_FORMULA: C26H45O19P3R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -5 FORMULA: C41H76O19P3 NON_SPECIFIC_FORMULA: C26H45O19P3R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -5 FORMULA: C41H76O19P3 NON_SPECIFIC_FORMULA: C26H45O19P3R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: 0 FORMULA: C41H81O19P3 NON_SPECIFIC_FORMULA: C26H50O19P3R SMILES: [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O CHARGE: 0 FORMULA: C41H81O19P3 NON_SPECIFIC_FORMULA: C26H50O19P3R SMILES: [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O CHARGE: 0 FORMULA: C11H19O19P3R2 SMILES: [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O CHARGE: 0 FORMULA: C41H81O19P3 NON_SPECIFIC_FORMULA: C26H50O19P3R SMILES: [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O CHARGE: 0 FORMULA: C41H81O19P3 NON_SPECIFIC_FORMULA: C26H50O19P3R SMILES: [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C11H15O16P2R2 SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -3 FORMULA: C41H77O16P2 NON_SPECIFIC_FORMULA: C26H46O16P2R SMILES: [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O CHARGE: -1 FORMULA: C41H78O13P NON_SPECIFIC_FORMULA: C26H47O13PR SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@H](O)[C@@H]1O CHARGE: -1 FORMULA: C41H78O13P NON_SPECIFIC_FORMULA: C26H47O13PR SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@H](O)[C@@H]1O CHARGE: -1 FORMULA: C41H78O13P NON_SPECIFIC_FORMULA: C26H47O13PR SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@H](O)[C@@H]1O CHARGE: -1 FORMULA: C41H78O13P NON_SPECIFIC_FORMULA: C26H47O13PR SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C16H31OSR SMILES: CCCCCCCCCCCCCCCC(=O)S[*] CHARGE: -2 FORMULA: C11H21N2O7PS SMILES: CC(C)(COP([O-])([O-])=O)C(O)C(=O)NCCC(=O)NCCS CHARGE: -2 FORMULA: C11H21N2O7PS SMILES: CC(C)(COP([O-])([O-])=O)C(O)C(=O)NCCC(=O)NCCS CHARGE: -2 FORMULA: C11H21N2O7PS SMILES: CC(C)(COP([O-])([O-])=O)C(O)C(=O)NCCC(=O)NCCS CHARGE: -4 FORMULA: C10H11N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: -4 FORMULA: C10H11N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: -4 FORMULA: C10H11N5O13P2S SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: -4 FORMULA: C10H11N5O13P2S SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: 0 FORMULA: C40H80NO8P NON_SPECIFIC_FORMULA: C25H49NO8PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C40H80NO8P NON_SPECIFIC_FORMULA: C25H49NO8PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C40H80NO8P NON_SPECIFIC_FORMULA: C25H49NO8PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C40H80NO8P NON_SPECIFIC_FORMULA: C10H18NO8PR2 SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C40H80NO8P NON_SPECIFIC_FORMULA: C25H49NO8PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C6H14N2O3 SMILES: [NH3+]C[C@H](O)CC[C@H]([NH3+])C([O-])=O CHARGE: 1 FORMULA: C6H15N2O2 CHARGE: -2 FORMULA: C4H8N3O5P SMILES: CN(CC([O-])=O)C(=[NH2+])NP([O-])([O-])=O CHARGE: -2 FORMULA: C4H8N3O5P SMILES: CN(CC([O-])=O)C(=[NH2+])NP([O-])([O-])=O CHARGE: 0 FORMULA: C10H19NO4 SMILES: CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C10H19NO4 SMILES: CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C10H19NO4 SMILES: CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C27H44O CHARGE: -2 FORMULA: C8H10NO6P SMILES: Cc1ncc(COP([O-])([O-])=O)c(CO)c1O CHARGE: 0 FORMULA: C37H74NO8P NON_SPECIFIC_FORMULA: C22H43NO8PR SMILES: NCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C37H74NO8P NON_SPECIFIC_FORMULA: C7H12NO8PR2 SMILES: NCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C37H74NO8P NON_SPECIFIC_FORMULA: C7H12NO8PR2 SMILES: NCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C37H74NO8P NON_SPECIFIC_FORMULA: C22H43NO8PR SMILES: NCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C37H74NO8P NON_SPECIFIC_FORMULA: C22H43NO8PR SMILES: NCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 1 FORMULA: C8H12N SMILES: [NH3+]CCc1ccccc1 CHARGE: -1 FORMULA: C9H14NO3 CHARGE: -3 FORMULA: C30H46N8O18P3S CHARGE: -1 FORMULA: C2535H3509O2535 CHARGE: -1 FORMULA: C2559H3549O2539 CHARGE: 0 FORMULA: C2561H3553NO2541 CHARGE: 0 FORMULA: C2561H3555NO2542S CHARGE: 0 FORMULA: C26H44N7O17P3S SMILES: CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -3 FORMULA: C3H2O6P SMILES: OP(O)(=O)OC(=C)C([O-])=O CHARGE: -3 FORMULA: C3H2O6P SMILES: OP(O)(=O)OC(=C)C([O-])=O CHARGE: 0 FORMULA: C7H13N3O2R2 CHARGE: 0 FORMULA: C7H13N3O2R2 CHARGE: -1 FORMULA: C10H13O2 SMILES: CC(=C)C1CCC(=CC1)C(O)=O CHARGE: -1 FORMULA: C10H13O2 SMILES: CC(=C)C1CCC(=CC1)C(O)=O CHARGE: 0 FORMULA: C10H16O SMILES: CC(=C)C1CCC(CO)=CC1 CHARGE: 0 FORMULA: C10H16O SMILES: CC(=C)C1CCC(CO)=CC1 CHARGE: -1 FORMULA: C38H74O10P NON_SPECIFIC_FORMULA: C36H69O10PR SMILES: OCC(O)COP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -1 FORMULA: C38H74O10P NON_SPECIFIC_FORMULA: C36H69O10PR SMILES: OCC(O)COP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C38H76O13P2 NON_SPECIFIC_FORMULA: C8H14O13P2R2 SMILES: OC(COP(O)(O)=O)COP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: -4 FORMULA: C29H38N7O17P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1 CHARGE: 0 FORMULA: C9H11NO2 SMILES: N[C@@H](Cc1ccccc1)C(O)=O CHARGE: 0 FORMULA: C9H11NO2 SMILES: N[C@@H](Cc1ccccc1)C(O)=O CHARGE: 0 FORMULA: C9H11NO2 SMILES: N[C@@H](Cc1ccccc1)C(O)=O CHARGE: 0 FORMULA: C9H11NO2 SMILES: N[C@@H](Cc1ccccc1)C(O)=O CHARGE: 0 FORMULA: C13H16N2O4 SMILES: NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C([O-])=O CHARGE: 0 FORMULA: C13H16N2O4 SMILES: NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C([O-])=O CHARGE: -2 FORMULA: C34FeH30N4O4 SMILES: CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Fe--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2 CHARGE: -2 FORMULA: C34FeH30N4O4 SMILES: CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Fe--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2 CHARGE: -2 FORMULA: C34FeH30N4O4 SMILES: CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Fe--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2 CHARGE: -2 FORMULA: C4H8NO6P SMILES: [NH3+][C@@H](CCOP([O-])([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C9H7O3 SMILES: [O-]C(=O)C(=O)Cc1ccccc1 CHARGE: -1 FORMULA: C9H7O3 SMILES: [O-]C(=O)C(=O)Cc1ccccc1 CHARGE: 0 FORMULA: C31H46O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O CHARGE: 0 FORMULA: C31H46O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O CHARGE: -4 FORMULA: C41H70N7O18P3S SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C20H39O2 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O CHARGE: -1 FORMULA: C20H39O2 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O CHARGE: -1 FORMULA: C20H39O2 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -1 FORMULA: C16H31O2 SMILES: CCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H31O2 SMILES: CCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H31O2 SMILES: CCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H31O2 SMILES: CCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H31O2 SMILES: CCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C23H45NO4 SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C23H45NO4 SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C23H45NO4 SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C23H45NO4 SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C9H16NO5 SMILES: CC(C)(CO)C(O)C(=O)NCCC(O)=O CHARGE: -1 FORMULA: C9H16NO5 SMILES: CC(C)(CO)C(O)C(=O)NCCC(O)=O CHARGE: -1 FORMULA: C9H16NO5 SMILES: CC(C)(CO)C(O)C(=O)NCCC(O)=O CHARGE: -1 FORMULA: C3H5O2 SMILES: CCC([O-])=O CHARGE: -1 FORMULA: C3H5O2 SMILES: CCC([O-])=O CHARGE: -1 FORMULA: C3H5O2 SMILES: CCC([O-])=O CHARGE: -1 FORMULA: C3H5O2 SMILES: CCC([O-])=O CHARGE: -1 FORMULA: C10H13N2O4 SMILES: [NH3+]Cc1[nH]cc(CCC([O-])=O)c1CC([O-])=O CHARGE: -4 FORMULA: C24H36N7O17P3S SMILES: CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C24H36N7O17P3S SMILES: CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C24H36N7O17P3S SMILES: CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: -13 FORMULA: C6H6O27P7 SMILES: [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -13 FORMULA: C6H6O27P7 SMILES: [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O CHARGE: -2 FORMULA: C34H32N4O4 SMILES: Cc1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O CHARGE: -2 FORMULA: C34H38N4O4 SMILES: Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(CCC([O-])=O)c5C)c(C=C)c4C)c(C=C)c3C CHARGE: -2 FORMULA: C34H38N4O4 SMILES: Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(CCC([O-])=O)c5C)c(C=C)c4C)c(C=C)c3C CHARGE: -4 FORMULA: HO10P3 SMILES: [O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -4 FORMULA: HO10P3 SMILES: [O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -4 FORMULA: HO10P3 SMILES: [O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -1 FORMULA: C5H11NO7P SMILES: [NH3+][C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: X CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: -1 FORMULA: C21H31O5S SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)OS(O)(=O)=O CHARGE: -1 FORMULA: C21H31O5S SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)OS(O)(=O)=O CHARGE: -1 FORMULA: C21H31O5S SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)OS(O)(=O)=O CHARGE: -1 FORMULA: C21H31O5S SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)OS(O)(=O)=O CHARGE: 0 FORMULA: C21H30O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C21H30O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C21H30O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: -1 FORMULA: C19H37O2 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O CHARGE: -1 FORMULA: C19H37O2 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O CHARGE: 0 FORMULA: C19H38O SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C=O CHARGE: 0 FORMULA: C19H38O SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C=O CHARGE: -4 FORMULA: C40H68N7O17P3S SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C40H68N7O17P3S SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C7H12N2O3 SMILES: OC(=O)CNC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C7H12N2O3 SMILES: OC(=O)CNC(=O)[C@@H]1CCCN1 CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O CHARGE: -4 FORMULA: C24H34N7O17P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C CHARGE: -4 FORMULA: C24H34N7O17P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C CHARGE: -5 FORMULA: C5H8O14P3 SMILES: O[C@H]1[C@@H](O)[C@H](O[C@@H]1COP([O-])([O-])=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -5 FORMULA: C5H8O14P3 SMILES: O[C@H]1[C@@H](O)[C@H](O[C@@H]1COP([O-])([O-])=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -1 FORMULA: C38H73NO10P NON_SPECIFIC_FORMULA: C23H42NO10PR SMILES: [NH3+][C@@H](COP([O-])(=O)OCC(COC([*])=O)OC([*])=O)C([O-])=O CHARGE: -1 FORMULA: C38H73NO10P NON_SPECIFIC_FORMULA: C23H42NO10PR SMILES: [NH3+][C@@H](COP([O-])(=O)OCC(COC([*])=O)OC([*])=O)C([O-])=O CHARGE: -1 FORMULA: C38H73NO10P NON_SPECIFIC_FORMULA: C23H42NO10PR SMILES: [NH3+][C@@H](COP([O-])(=O)OCC(COC([*])=O)OC([*])=O)C([O-])=O CHARGE: -1 FORMULA: C38H73NO10P NON_SPECIFIC_FORMULA: C23H42NO10PR SMILES: [NH3+][C@@H](COP([O-])(=O)OCC(COC([*])=O)OC([*])=O)C([O-])=O CHARGE: -1 FORMULA: C38H73NO10P NON_SPECIFIC_FORMULA: C23H42NO10PR SMILES: [NH3+][C@@H](COP([O-])(=O)OCC(COC([*])=O)OC([*])=O)C([O-])=O CHARGE: -2 FORMULA: C3H6NO6P SMILES: N[C@@H](COP(O)(O)=O)C(O)=O CHARGE: 0 FORMULA: C9642006H15428700O8667414 CHARGE: 0 FORMULA: C9642032H15428743NO8667420 CHARGE: 0 FORMULA: C9642032H15428745NO8667421S CHARGE: -1 FORMULA: C9642032H15428744NO8667420S CHARGE: -1 FORMULA: C15H29O2 SMILES: CCCCCCCCCCCCCCC(O)=O CHARGE: -1 FORMULA: C15H29O2 SMILES: CCCCCCCCCCCCCCC(O)=O CHARGE: -4 FORMULA: C36H60N7O17P3S CHARGE: -4 FORMULA: C36H60N7O17P3S CHARGE: 0 FORMULA: C22H43NO4 CHARGE: 0 FORMULA: C22H43NO4 CHARGE: 2 FORMULA: C4H14N2 SMILES: [NH3+]CCCC[NH3+] CHARGE: 2 FORMULA: C4H14N2 SMILES: [NH3+]CCCC[NH3+] CHARGE: 2 FORMULA: C4H14N2 SMILES: [NH3+]CCCC[NH3+] CHARGE: 2 FORMULA: C4H14N2 SMILES: [NH3+]CCCC[NH3+] CHARGE: 0 FORMULA: C11H22N2O4S SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C11H22N2O4S SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C11H22N2O4S SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: -1 FORMULA: C8H12N2O5P SMILES: Cc1ncc(COP([O-])([O-])=O)c(C[NH3+])c1O CHARGE: -1 FORMULA: C8H12N2O5P SMILES: Cc1ncc(COP([O-])([O-])=O)c(C[NH3+])c1O CHARGE: 1 FORMULA: C8H13N2O2 SMILES: Cc1ncc(CO)c(C[NH3+])c1O CHARGE: 1 FORMULA: C8H13N2O2 SMILES: Cc1ncc(CO)c(C[NH3+])c1O CHARGE: -2 FORMULA: C8H8NO6P SMILES: [H]C(=O)c1c(COP([O-])([O-])=O)cnc(C)c1O CHARGE: -2 FORMULA: C8H8NO6P SMILES: [H]C(=O)c1c(COP([O-])([O-])=O)cnc(C)c1O CHARGE: -2 FORMULA: C8H8NO6P SMILES: [H]C(=O)c1c(COP([O-])([O-])=O)cnc(C)c1O CHARGE: 0 FORMULA: C8H9NO3 SMILES: [H]C(=O)c1c(CO)cnc(C)c1O CHARGE: 0 FORMULA: C8H9NO3 SMILES: [H]C(=O)c1c(CO)cnc(C)c1O CHARGE: 0 FORMULA: C8H11NO3 SMILES: Cc1ncc(CO)c(CO)c1O CHARGE: 0 FORMULA: C8H11NO3 SMILES: Cc1ncc(CO)c(CO)c1O CHARGE: 0 FORMULA: C10H14O SMILES: [H]C(=O)C1=CCC(CC1)C(C)=C CHARGE: 0 FORMULA: C10H14O SMILES: [H]C(=O)C1=CCC(CC1)C(C)=C CHARGE: -1 FORMULA: C3H3O3 SMILES: CC(=O)C([O-])=O CHARGE: -1 FORMULA: C3H3O3 SMILES: CC(=O)C([O-])=O CHARGE: -1 FORMULA: C3H3O3 SMILES: CC(=O)C([O-])=O CHARGE: -1 FORMULA: C3H3O3 SMILES: CC(=O)C([O-])=O CHARGE: 0 FORMULA: C59H90O4 SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O CHARGE: 0 FORMULA: C59H90O4 SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O CHARGE: 0 FORMULA: C59H90O4 SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O CHARGE: 0 FORMULA: C59H92O4 SMILES: COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC CHARGE: 0 FORMULA: C59H92O4 SMILES: COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC CHARGE: 0 FORMULA: C59H92O4 SMILES: COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC CHARGE: -2 FORMULA: C7H3NO4 SMILES: [O-]C(=O)c1cccnc1C([O-])=O CHARGE: -2 FORMULA: C5H9O8P SMILES: OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O CHARGE: -2 FORMULA: C5H9O8P SMILES: O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C5H9O8P SMILES: O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C5H9O8P SMILES: O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C5H10O5 SMILES: OC[C@@H](O)[C@@H](O)C(=O)CO CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C20H28O SMILES: CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H30O SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO CHARGE: 0 FORMULA: C20H30O SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO CHARGE: 0 FORMULA: C20H30O SMILES: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO CHARGE: 0 FORMULA: C20H30O SMILES: CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO CHARGE: 0 FORMULA: C20H30O SMILES: CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO CHARGE: 0 FORMULA: C20H30O SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO CHARGE: 0 FORMULA: C20H30O SMILES: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO CHARGE: 0 FORMULA: C20H30O SMILES: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O CHARGE: -4 FORMULA: C41H58N7O17P3S CHARGE: -1 FORMULA: C26H35O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: C26H35O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: C26H35O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C5H10O5 CHARGE: 0 FORMULA: C5H10O5 CHARGE: 0 FORMULA: C17H20N4O6 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C CHARGE: 0 FORMULA: C17H20N4O6 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C CHARGE: 1 FORMULA: C11H15N2O5 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C5H9O8P SMILES: OCC(=O)[C@H](O)[C@H](O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C5H9O8P SMILES: OCC(=O)[C@H](O)[C@H](O)COP([O-])([O-])=O CHARGE: -2 FORMULA: C94H150N8O67 CHARGE: -2 FORMULA: C94H150N8O67 CHARGE: -2 FORMULA: C94H150N8O67 CHARGE: -2 FORMULA: C84H136N6O62 CHARGE: -2 FORMULA: C84H136N6O62 CHARGE: -2 FORMULA: C88H140N8O63 CHARGE: -2 FORMULA: C88H140N8O63 CHARGE: -2 FORMULA: C76H123N5O57 CHARGE: -2 FORMULA: C76H123N5O57 CHARGE: -2 FORMULA: C7H13O10P SMILES: OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C72H116N11O48 CHARGE: -1 FORMULA: C66H106N11O43 CHARGE: -1 FORMULA: C11H19N2O6 SMILES: [NH3+][C@@H](CCCC[NH2+][C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: CNCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: CNCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: CNCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: CNCC(O)=O CHARGE: -5 FORMULA: C29H43N7O19P3S CHARGE: -5 FORMULA: C29H43N7O19P3S CHARGE: 0 FORMULA: C6H14O6 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C6H14O6 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C14H20N6O5Se SMILES: N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5Se SMILES: N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: 1 FORMULA: C15H23N6O5Se SMILES: C[Se+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: 1 FORMULA: C15H23N6O5Se SMILES: C[Se+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: -2 FORMULA: C10H16O4 SMILES: OC(=O)CCCCCCCCC(O)=O CHARGE: -2 FORMULA: C10H16O4 SMILES: OC(=O)CCCCCCCCC(O)=O CHARGE: -5 FORMULA: C31H47N7O19P3S CHARGE: -5 FORMULA: C31H47N7O19P3S CHARGE: -2 FORMULA: O4Se SMILES: [O-][Se]([O-])(=O)=O CHARGE: -2 FORMULA: O4Se SMILES: [O-][Se]([O-])(=O)=O CHARGE: 0 FORMULA: C3H7NO2Se SMILES: NC(C[SeH])C(O)=O CHARGE: 0 FORMULA: C7H14N2O4Se SMILES: NC(CC[Se]CC(N)C(O)=O)C(O)=O CHARGE: 0 FORMULA: C4H9NO2Se SMILES: C[Se]CC(N)C(O)=O CHARGE: 0 FORMULA: C4H9NO2Se SMILES: C[Se]CC(N)C(O)=O CHARGE: 0 FORMULA: C4H9NO2Se SMILES: C[Se]CC(N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2Se SMILES: C[Se]CCC(N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2Se SMILES: C[Se]CCC(N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2Se SMILES: C[Se]CCC(N)C(O)=O CHARGE: -1 FORMULA: HSe SMILES: [Se--] CHARGE: -3 FORMULA: O3PSe SMILES: [O-]P([O-])([O-])=[Se] CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: -1 FORMULA: C40H76NO11S NON_SPECIFIC_FORMULA: C25H45NO11SR CHARGE: -1 FORMULA: C40H76NO11S NON_SPECIFIC_FORMULA: C25H45NO11SR CHARGE: -1 FORMULA: C40H76NO11S NON_SPECIFIC_FORMULA: C25H45NO11SR CHARGE: -2 FORMULA: C3H4O6S SMILES: O[C@H](CS([O-])(=O)=O)C([O-])=O CHARGE: -2 FORMULA: C3H4O6S SMILES: O[C@H](CS([O-])(=O)=O)C([O-])=O CHARGE: -2 FORMULA: C3H4O6S SMILES: O[C@H](CS([O-])(=O)=O)C([O-])=O CHARGE: 1 FORMULA: C3H8NO5S2 SMILES: N[C@@H](CSS(O)(=O)=O)C(O)=O CHARGE: 1 FORMULA: C3H8NO5S2 SMILES: N[C@@H](CSS(O)(=O)=O)C(O)=O CHARGE: -2 FORMULA: O3S SMILES: OS([O-])=O CHARGE: -2 FORMULA: O3S SMILES: OS([O-])=O CHARGE: -2 FORMULA: O3S SMILES: OS([O-])=O CHARGE: -2 FORMULA: O3S SMILES: OS([O-])=O CHARGE: -2 FORMULA: O3S SMILES: OS([O-])=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: 1 FORMULA: C23H50N2O5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(=O)OCC[N+](C)(C)C CHARGE: 1 FORMULA: C23H50N2O5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(=O)OCC[N+](C)(C)C CHARGE: -1 FORMULA: C18H39NO5P SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: -1 FORMULA: C18H39NO5P SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: -1 FORMULA: C18H39NO5P SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: 1 FORMULA: C18H40NO2 SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO CHARGE: 1 FORMULA: C18H40NO2 SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO CHARGE: 1 FORMULA: C18H38NO2 SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO CHARGE: 1 FORMULA: C18H38NO2 SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO CHARGE: 1 FORMULA: C18H38NO2 SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO CHARGE: 1 FORMULA: C39H80N2O6P NON_SPECIFIC_FORMULA: C24H49N2O6PR SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC([*])=O CHARGE: 1 FORMULA: C39H80N2O6P NON_SPECIFIC_FORMULA: C24H49N2O6PR SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC([*])=O CHARGE: 1 FORMULA: C39H80N2O6P NON_SPECIFIC_FORMULA: C24H49N2O6PR SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC([*])=O CHARGE: -1 FORMULA: C18H37NO5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: -1 FORMULA: C18H37NO5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: -1 FORMULA: C18H37NO5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: 3 FORMULA: C7H22N3 SMILES: [NH3+]CCCC[NH2+]CCC[NH3+] CHARGE: 3 FORMULA: C7H22N3 SMILES: [NH3+]CCCC[NH2+]CCC[NH3+] CHARGE: 3 FORMULA: C7H22N3 SMILES: [NH3+]CCCC[NH2+]CCC[NH3+] CHARGE: 4 FORMULA: C10H30N4 SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] CHARGE: 4 FORMULA: C10H30N4 SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] CHARGE: 4 FORMULA: C10H30N4 SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] CHARGE: 0 FORMULA: C30H50 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C CHARGE: 0 FORMULA: C6H12O6 CHARGE: 1 FORMULA: C10H13N2O SMILES: [NH3+]CCc1c[nH]c2ccc(O)cc12 CHARGE: 1 FORMULA: C10H13N2O SMILES: [NH3+]CCc1c[nH]c2ccc(O)cc12 CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C39H66N7O17P3S SMILES: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O17P3S SMILES: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O17P3S SMILES: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O17P3S SMILES: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H66N7O17P3S SMILES: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H49NO4 CHARGE: 0 FORMULA: C25H49NO4 CHARGE: 0 FORMULA: C66H112O56 CHARGE: 0 FORMULA: C18H32O16 CHARGE: -1 FORMULA: C18H27O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O CHARGE: -1 FORMULA: C18H27O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O CHARGE: -1 FORMULA: C18H27O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O CHARGE: -4 FORMULA: C39H58N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H58N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H58N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H41NO4 CHARGE: 0 FORMULA: C25H41NO4 CHARGE: -2 FORMULA: C8H12O4 SMILES: OC(=O)CCCCCCC(O)=O CHARGE: -2 FORMULA: C8H12O4 SMILES: OC(=O)CCCCCCC(O)=O CHARGE: -2 FORMULA: C4H4O4 SMILES: [O-]C(=O)CCC([O-])=O CHARGE: -2 FORMULA: C4H4O4 SMILES: [O-]C(=O)CCC([O-])=O CHARGE: -2 FORMULA: C4H4O4 SMILES: [O-]C(=O)CCC([O-])=O CHARGE: -2 FORMULA: C4H4O4 SMILES: [O-]C(=O)CCC([O-])=O CHARGE: -2 FORMULA: C4H4O4 SMILES: [O-]C(=O)CCC([O-])=O CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC([O-])=O CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC([O-])=O CHARGE: -5 FORMULA: C25H35N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC([O-])=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -1 FORMULA: C4H5O3 SMILES: [O-]C(=O)CCC=O CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -2 FORMULA: C6H11O9P CHARGE: 0 FORMULA: C51H98O6 NON_SPECIFIC_FORMULA: C21H36O6R2 SMILES: [*]C(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C51H98O6 NON_SPECIFIC_FORMULA: C36H67O6R SMILES: [*]C(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C2H7NO3S SMILES: NCCS(O)(=O)=O CHARGE: 0 FORMULA: C2H7NO3S SMILES: NCCS(O)(=O)=O CHARGE: 0 FORMULA: C2H7NO3S SMILES: NCCS(O)(=O)=O CHARGE: 0 FORMULA: C47H51NO14 SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHARGE: 0 FORMULA: C47H51NO14 SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHARGE: 0 FORMULA: C26H45NO7S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: 0 FORMULA: C26H45NO7S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: 0 FORMULA: C26H45NO7S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: -1 FORMULA: CNS SMILES: [S-]C#N CHARGE: -1 FORMULA: CNS SMILES: [S-]C#N CHARGE: -1 FORMULA: CNS SMILES: [S-]C#N CHARGE: -1 FORMULA: CNS SMILES: [S-]C#N CHARGE: -1 FORMULA: CNS SMILES: [S-]C#N CHARGE: -1 FORMULA: C14H27O2 SMILES: C(CCCCCCCC)CCCCC([O-])=O CHARGE: -1 FORMULA: C14H27O2 SMILES: C(CCCCCCCC)CCCCC([O-])=O CHARGE: 0 FORMULA: C26H45NO6S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: 0 FORMULA: C26H45NO6S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: 0 FORMULA: C26H45NO6S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: -4 FORMULA: C35H58N7O17P3S SMILES: CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H58N7O17P3S SMILES: CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H58N7O17P3S SMILES: CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C21H41NO4 SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C33H54N7O17P3S SMILES: CCCCC\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H50N7O17P3S SMILES: CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C14H25OSR SMILES: CCCCCCCCCCC\C=C\C(=O)S[*] CHARGE: -4 FORMULA: C31H48N7O17P3S CHARGE: -1 FORMULA: C26H44NO6S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: 0 FORMULA: C21H37NO4 CHARGE: 0 FORMULA: C21H37NO4 CHARGE: -4 FORMULA: C35H54N7O17P3S SMILES: CCCCCCCC\C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H54N7O17P3S SMILES: CCCCCCCC\C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O17P3S SMILES: CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C21H39NO4 CHARGE: 0 FORMULA: C21H39NO4 CHARGE: -1 FORMULA: C24H35O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -1 FORMULA: C24H35O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -4 FORMULA: C45H66N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H66N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C24H37O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -1 FORMULA: C24H37O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H51NO4 CHARGE: 0 FORMULA: C31H51NO4 CHARGE: -1 FORMULA: C24H37O2 CHARGE: -1 FORMULA: C24H37O2 CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C45H68N7O17P3S SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C31H51NO4 CHARGE: 0 FORMULA: C31H51NO4 CHARGE: -1 FORMULA: C24H39O2 CHARGE: -1 FORMULA: C24H39O2 CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: -4 FORMULA: C45H70N7O17P3S CHARGE: 0 FORMULA: C31H53NO4 CHARGE: 0 FORMULA: C31H53NO4 CHARGE: 0 FORMULA: C9H15N5O4 SMILES: CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2(O)N1 CHARGE: 0 FORMULA: C9H15N5O4 SMILES: CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2(O)N1 CHARGE: 0 FORMULA: C9H15N5O3 SMILES: CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1 CHARGE: 0 FORMULA: C9H15N5O3 SMILES: CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1 CHARGE: -4 FORMULA: C48H76N7O20P3S SMILES: [H][C@@](C)(CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: 0 FORMULA: C27H46O4 SMILES: [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: 0 FORMULA: C27H46O4 SMILES: [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C27H45O5 SMILES: C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C27H45O5 SMILES: C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C27H45O5 SMILES: C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C CHARGE: -1 FORMULA: C27H45O5 SMILES: C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C CHARGE: 0 FORMULA: C52H97NO18 NON_SPECIFIC_FORMULA: C37H66NO18R CHARGE: 0 FORMULA: C52H97NO18 NON_SPECIFIC_FORMULA: C37H66NO18R CHARGE: 0 FORMULA: C3H7NO2S2 SMILES: N[C@@H](CSS)C(O)=O CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: 1 FORMULA: C12H17N4OS SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 CHARGE: 1 FORMULA: C12H17N4OS SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 CHARGE: 1 FORMULA: C12H17N4OS SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 CHARGE: -1 FORMULA: C12H16N4O4PS SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1 CHARGE: -1 FORMULA: C12H16N4O4PS SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1 CHARGE: -1 FORMULA: C12H16N4O4PS SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1 CHARGE: -2 FORMULA: C12H16N4O7P2S SMILES: Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)([O-])=O)c2C)c(N)n1 CHARGE: -2 FORMULA: C12H16N4O7P2S SMILES: Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)([O-])=O)c2C)c(N)n1 CHARGE: -3 FORMULA: C12H16N4O10P3S SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1 CHARGE: -3 FORMULA: C12H16N4O10P3S SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1 CHARGE: -1 FORMULA: C6H8NO2 SMILES: [O-]C(=O)C1CCCC=N1 CHARGE: -1 FORMULA: C6H8NO2 SMILES: [O-]C(=O)C1CCCC=N1 CHARGE: 0 FORMULA: C4H9NO3 SMILES: C[C@@H](O)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C4H9NO3 SMILES: C[C@@H](O)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C4H9NO3 SMILES: C[C@@H](O)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C4H9NO3 SMILES: C[C@@H](O)[C@H](N)C(O)=O CHARGE: -1 FORMULA: C4H7O5 SMILES: OC[C@H](O)[C@@H](O)C([O-])=O CHARGE: 0 FORMULA: C5H6N2O2 SMILES: Cc1c[nH]c(=O)[nH]c1=O CHARGE: 0 FORMULA: C5H6N2O2 SMILES: Cc1c[nH]c(=O)[nH]c1=O CHARGE: 0 FORMULA: C5H6N2O2 SMILES: Cc1c[nH]c(=O)[nH]c1=O CHARGE: 0 FORMULA: C10H14N2O5 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C10H14N2O5 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C10H14N2O5 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C10H14N2O5 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C15H11I4NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H11I4NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H11I4NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 1 FORMULA: C9H21N2O2 SMILES: C[N+](C)(C)CCCC[C@H](N)C(O)=O CHARGE: 1 FORMULA: C9H21N2O2 SMILES: C[N+](C)(C)CCCC[C@H](N)C(O)=O CHARGE: -1 FORMULA: C20H29O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H29O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -4 FORMULA: C41H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C41H60N7O17P3S SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C27H43NO4 CHARGE: 0 FORMULA: C27H43NO4 CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H58N7O17P3S CHARGE: 0 FORMULA: C12H18N2O3S SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 CHARGE: 0 FORMULA: C12H18N2O3S SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 CHARGE: 0 FORMULA: C6H8N2O2S2R4 SMILES: [*]N[C@@H](CSSC[C@H](N[*])C([*])=O)C([*])=O CHARGE: 0 FORMULA: C6H8N2O2S2R4 SMILES: [*]N[C@@H](CSSC[C@H](N[*])C([*])=O)C([*])=O CHARGE: 0 FORMULA: C6H8N2O2S2R4 SMILES: [*]N[C@@H](CSSC[C@H](N[*])C([*])=O)C([*])=O CHARGE: 0 FORMULA: C6H10N2O2S2R4 SMILES: SC[C@H](N[*])C(=O)N[C@@H]([*])C(=O)N[C@@H]([*])C(=O)N[C@@H](CS)C([*])=O CHARGE: 0 FORMULA: C6H10N2O2S2R4 SMILES: SC[C@H](N[*])C(=O)N[C@@H]([*])C(=O)N[C@@H]([*])C(=O)N[C@@H](CS)C([*])=O CHARGE: 0 FORMULA: C6H10N2O2S2R4 SMILES: SC[C@H](N[*])C(=O)N[C@@H]([*])C(=O)N[C@@H]([*])C(=O)N[C@@H](CS)C([*])=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -4 FORMULA: C34H56N7O17P3S CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C15H11I3NO7S SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C15H11I3NO7S SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C11H12N2O2 SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O CHARGE: 0 FORMULA: C11H12N2O2 SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O CHARGE: 0 FORMULA: C11H12N2O2 SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O CHARGE: 1 FORMULA: C10H13N2 SMILES: [NH3+]CCc1c[nH]c2ccccc12 CHARGE: 0 FORMULA: C27H44O CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C25H36O8 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C25H36O8 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C25H36O8 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: C19H27O5S CHARGE: -1 FORMULA: C19H27O5S CHARGE: -2 FORMULA: O3S2 SMILES: [O-]S([S-])(=O)=O CHARGE: -2 FORMULA: O3S2 SMILES: [O-]S([S-])(=O)=O CHARGE: -2 FORMULA: O3S2 SMILES: [O-]S([S-])(=O)=O CHARGE: -3 FORMULA: C20H33O7P2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/COP(O)(=O)OP(O)(O)=O CHARGE: -1 FORMULA: C14H25O2 SMILES: CCCC\C=C/CCCCCCCC(O)=O CHARGE: 0 FORMULA: C21H41NO4 SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C21H41NO4 SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: 1 FORMULA: C8H12NO SMILES: [NH3+]CCc1ccc(O)cc1 CHARGE: 0 FORMULA: C8H11NO4S CHARGE: 0 FORMULA: C8H11NO4S CHARGE: 0 FORMULA: C9H11NO3 SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O CHARGE: 0 FORMULA: C9H11NO3 SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O CHARGE: 0 FORMULA: C9H11NO3 SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O CHARGE: 0 FORMULA: C9H11NO3 SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C17H25N3O17P2 SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C15H19N2O18P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C15H19N2O18P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -3 FORMULA: C15H19N2O18P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C14H20N2O16P2 SMILES: O[C@@H]1CO[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O CHARGE: -2 FORMULA: C14H20N2O16P2 SMILES: O[C@@H]1CO[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O CHARGE: -2 FORMULA: C14H20N2O16P2 SMILES: O[C@@H]1CO[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C32H52N7O17P3S CHARGE: -8 FORMULA: C40H36N4O16 SMILES: [O-]C(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC([O-])=O)c(CCC([O-])=O)c5CC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)c(CC([O-])=O)c3CCC([O-])=O CHARGE: 0 FORMULA: C4H4N2O2 SMILES: O=c1cc[nH]c(=O)[nH]1 CHARGE: 0 FORMULA: C4H4N2O2 SMILES: O=c1cc[nH]c(=O)[nH]1 CHARGE: 0 FORMULA: C5H4N4O3 SMILES: O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 CHARGE: 0 FORMULA: C5H4N4O3 SMILES: O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 CHARGE: 0 FORMULA: C5H4N4O3 SMILES: O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 CHARGE: 0 FORMULA: C5H4N4O3 SMILES: O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 CHARGE: -1 FORMULA: C6H5N2O2 SMILES: [O-]C(=O)\C=C\c1c[nH]cn1 CHARGE: 0 FORMULA: CH4N2O SMILES: NC(N)=O CHARGE: 0 FORMULA: CH4N2O SMILES: NC(N)=O CHARGE: 0 FORMULA: CH4N2O SMILES: NC(N)=O CHARGE: 0 FORMULA: CH4N2O SMILES: NC(N)=O CHARGE: 0 FORMULA: C9H12N2O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O15P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O15P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O15P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O15P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCC\C=C\CCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCC\C=C\CCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C25H47NO4 SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C25H47NO4 SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C5H11NO2 SMILES: CC(C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: CC(C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: CC(C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: CC(C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C28H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C CHARGE: 0 FORMULA: C28H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C CHARGE: 0 FORMULA: C28H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C CHARGE: -1 FORMULA: C20H31O3 SMILES: OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C12H23O3 SMILES: CCCCCCCCCCCCCC(O)CC(O)=O CHARGE: -1 FORMULA: C12H23O3 SMILES: CCCCCCCCCCCCCC(O)CC(O)=O CHARGE: -1 FORMULA: C16H31O3 SMILES: OCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C16H31O3 SMILES: OCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: -1 FORMULA: C14H27O3 CHARGE: -1 FORMULA: C14H27O3 CHARGE: 0 FORMULA: C5H4N4O2 SMILES: O=c1[nH]c2[nH]cnc2c(=O)[nH]1 CHARGE: 0 FORMULA: C5H4N4O2 SMILES: O=c1[nH]c2[nH]cnc2c(=O)[nH]1 CHARGE: -2 FORMULA: C10H11N4O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O CHARGE: -2 FORMULA: C10H11N4O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)CCCC(C)C CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)CCCC(C)C CHARGE: 0 FORMULA: C27H48O2 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H48O2 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H48O2 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CHARGE: 0 FORMULA: C27H48O3 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H48O3 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O2 SMILES: [H][C@]12C[C@@H](O)[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C43H76O2 NON_SPECIFIC_FORMULA: C28H45O2R SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC([*])=O)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C43H76O2 NON_SPECIFIC_FORMULA: C28H45O2R SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC([*])=O)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C28H45O2R SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC([*])=O)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H48O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H48O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C27H48O3 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H48O3 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H48O3 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C8H13NO6 CHARGE: 0 FORMULA: C8H13NO6 CHARGE: -4 FORMULA: C10H11N4O15P3 SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O CHARGE: 0 FORMULA: C10H12N4O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O CHARGE: -2 FORMULA: C5H9O8P SMILES: OC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O CHARGE: -2 FORMULA: C5H9O8P SMILES: OCC(=O)[C@@H](O)[C@H](O)COP([O-])([O-])=O CHARGE: 0 FORMULA: C5H10O5 SMILES: OC[C@@H](O)[C@H](O)[C@@H](O)C=O CHARGE: 0 FORMULA: C5H10O5 SMILES: OC[C@@H](O)[C@H](O)[C@@H](O)C=O CHARGE: 0 FORMULA: C5H10O5 SMILES: OC[C@@H](O)[C@H](O)[C@@H](O)C=O CHARGE: -1 FORMULA: C5H9O6 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)C([O-])=O CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C5H10O5 SMILES: [H][C@@](O)(CO)[C@]([H])(O)C(=O)CO CHARGE: 0 FORMULA: C5H10O5 SMILES: OC[C@H](O)[C@@H](O)C(=O)CO CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C27H42O SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2 CHARGE: 0 FORMULA: C27H46O SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2 CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N(C[C@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: -3 FORMULA: C20H25O3 CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O CHARGE: 0 FORMULA: C26H36O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C6H13O7P NON_SPECIFIC_FORMULA: C4H8O7PR SMILES: O[C@H](COC([*])=O)COP(O)(O)=O CHARGE: 1 FORMULA: C7H9N2O SMILES: C[n+]1cccc(c1)C(N)=O CHARGE: -1 FORMULA: C9H10N2O8P SMILES: OC[C@H]1O[C@H]([C@@H]2OP([O-])(=O)O[C@H]12)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C28H44O3 CHARGE: 0 FORMULA: C27H44O3 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O CHARGE: 0 FORMULA: C6H5NO4 SMILES: C1(=CC=C(C=C1O)[N+]([O-])=O)[O-] CHARGE: 0 FORMULA: C28H44O2 CHARGE: 0 FORMULA: C27H44O2 SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O CHARGE: -1 FORMULA: C4H7O3 SMILES: CCC(O)C(O)=O CHARGE: -3 FORMULA: C7H7O7 SMILES: CC(C([O-])=O)C(O)(CC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C8H10O4 SMILES: OCC(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C9H11NO4 SMILES: N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O CHARGE: -1 FORMULA: C9H7O4 SMILES: Oc1ccc(CC(=O)C([O-])=O)cc1 CHARGE: -1 FORMULA: C10H11N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@H](CN)C(O)=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: C[C@@H](CN)C(O)=O CHARGE: 0 FORMULA: C11H21NO5 CHARGE: 0 FORMULA: C19H37NO5 CHARGE: 0 FORMULA: C17H33NO5 CHARGE: 0 FORMULA: C23H43NO5 CHARGE: 0 FORMULA: C23H45NO5 CHARGE: 0 FORMULA: C12H23NO5 CHARGE: -1 FORMULA: C6H7N2O2 SMILES: Cn1cnc(CC(O)=O)c1 CHARGE: -1 FORMULA: C5H7O3 SMILES: CC(C)C(=O)C([O-])=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CCC(C)C(=O)C([O-])=O CHARGE: 0 FORMULA: C25H45NO5 CHARGE: 0 FORMULA: C25H49NO5 CHARGE: 0 FORMULA: C25H47NO5 CHARGE: 0 FORMULA: C21H41NO5 CHARGE: 0 FORMULA: C21H39NO5 CHARGE: 0 FORMULA: C23H41NO5 CHARGE: 0 FORMULA: C21H37NO5 CHARGE: -2 FORMULA: C9H11N2O9P SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C4H9NO2 SMILES: NCCCC(O)=O CHARGE: 1 FORMULA: C4H10NO SMILES: [H]C(=O)CCC[NH3+] CHARGE: 1 FORMULA: C10H14N3O SMILES: NC(=N)N1CC(O)c2ccccc2C1 CHARGE: -1 FORMULA: C8H7O3 SMILES: Oc1ccc(CC([O-])=O)cc1 CHARGE: 0 FORMULA: C5H9NO3 SMILES: O[C@H]1CN[C@@H](C1)C(O)=O CHARGE: -1 FORMULA: C6H9O3 SMILES: CC(C)CC(=O)C([O-])=O CHARGE: 0 FORMULA: C6H12O SMILES: C(C(C)C)CC=O CHARGE: 0 FORMULA: C12H18N2O4S SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1 CHARGE: 0 FORMULA: C6H5NO3 SMILES: [O-]c1ccc(cc1)[N+]([O-])=O CHARGE: -1 FORMULA: C6H4NO6S SMILES: OS(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O CHARGE: 0 FORMULA: C8H9NO4 SMILES: Cc1ncc(CO)c(C([O-])=O)c1O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC([O-])=O)OO CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 CHARGE: 0 FORMULA: C25H38O8 CHARGE: -2 FORMULA: C20H21N7O7 SMILES: [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: 0 FORMULA: C17H19N3O4S CHARGE: 0 FORMULA: C11H12N2O3 SMILES: N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O CHARGE: 0 FORMULA: C11H15N5O3S SMILES: CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C20H24N7O6 SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 CHARGE: -1 FORMULA: C5H6NO3 SMILES: [O-]C(=O)C1CCC(=O)N1 CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12C[C@@H](O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C4H6N2O2 CHARGE: -1 FORMULA: C10H6NO4 CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O CHARGE: 0 FORMULA: C4H2N2O4 CHARGE: 2 FORMULA: C7H18N2O SMILES: [H]C(=O)CCCNCCCN CHARGE: 0 FORMULA: CH2NO2S CHARGE: 0 FORMULA: CHNOS CHARGE: -4 FORMULA: C43H72N7O18P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C54H92O46 CHARGE: 0 FORMULA: C60H102O51 CHARGE: 0 FORMULA: ClHO SMILES: OCl CHARGE: 0 FORMULA: ClNO2 CHARGE: 0 FORMULA: C32H51N5O7 CHARGE: 0 FORMULA: C26H40N4O6 CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -1 FORMULA: HS SMILES: [S-][H] CHARGE: -3 FORMULA: C6H3O6 SMILES: [O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C16H28N2O11 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CHARGE: 0 FORMULA: C4H6N2O2 SMILES: N[C@@H](CC#N)C(O)=O CHARGE: -2 FORMULA: C6H4NO6P SMILES: [O-][N+](=O)c1ccc(OP([O-])([O-])=O)cc1 CHARGE: 0 FORMULA: C9H13N5O4 SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C6H10O6 SMILES: OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O CHARGE: -2 FORMULA: C12H21O14P CHARGE: 0 FORMULA: C9H18O8 SMILES: [H][C@@](O)(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CHARGE: 0 FORMULA: C12H20O11 CHARGE: 0 FORMULA: C9H13N3O5 CHARGE: -8 FORMULA: C40H36N4O16 SMILES: [O-]C(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC([O-])=O)c(CCC([O-])=O)c5CC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O CHARGE: -4 FORMULA: C36H40N4O8 SMILES: Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(C)c5CCC([O-])=O)c(C)c4CCC([O-])=O)c(C)c3CCC([O-])=O CHARGE: 0 FORMULA: C8H13N3O3 CHARGE: 0 FORMULA: C12H17O10. Na CHARGE: 0 FORMULA: C36H64N2O16 CHARGE: 0 FORMULA: C50H87N3O26 CHARGE: 0 FORMULA: C56H97N3O31 CHARGE: 2 FORMULA: Zn SMILES: [Zn++] CHARGE: -1 FORMULA: C12H23O2 SMILES: CCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O3 SMILES: OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O6 SMILES: CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C24H39O3 SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H44NO5S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -1 FORMULA: C26H42NO4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C24H40O4 CHARGE: 0 FORMULA: C26H45NO6S CHARGE: 0 FORMULA: C26H42NO5 CHARGE: -2 FORMULA: C26H41NO7S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O CHARGE: -2 FORMULA: C26H43NO8S2 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O CHARGE: 0 FORMULA: C16H28N4O8S CHARGE: 0 FORMULA: C16H19N5O10S SMILES: N[C@@H](CCC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O CHARGE: 0 FORMULA: C23H27Cl2N3O10S CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: 0 FORMULA: C20H30O4 SMILES: CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1 CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1 CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H29O4 SMILES: CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H29O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O CHARGE: 0 FORMULA: C20H30O5 SMILES: CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CHARGE: -1 FORMULA: C20H35O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O CHARGE: -1 FORMULA: C20H33O5 SMILES: [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@@H](C[C@H]1O)O)C/C=C\CCCC(O)=O CHARGE: -1 FORMULA: C20H31O6 SMILES: CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O CHARGE: 0 FORMULA: C24H40O7S CHARGE: 0 FORMULA: C6H12N2O4S2 SMILES: N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O CHARGE: -1 FORMULA: C16O2H31 NON_SPECIFIC_FORMULA: CO2R SMILES: [O-]C([*])=O CHARGE: 0 FORMULA: C3H5NO2 CHARGE: 0 FORMULA: C3H5NO2 CHARGE: 0 FORMULA: C61H100N10O40 CHARGE: 0 FORMULA: C1731H3157N455O837S14 CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)C(O)[C@@H](O)CO CHARGE: -1 FORMULA: C2H3O2 SMILES: CC([O-])=O CHARGE: -1 FORMULA: C4H5O3 SMILES: CC(=O)CC([O-])=O CHARGE: 0 FORMULA: C2H4O SMILES: [H]C(C)=O CHARGE: 0 FORMULA: C3H6O SMILES: CC(C)=O CHARGE: 0 FORMULA: C94H166N4O46 NON_SPECIFIC_FORMULA: C79H135N4O46R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C108H189N5O56 NON_SPECIFIC_FORMULA: C93H158N5O56R CHARGE: 0 FORMULA: C8H15NO6 SMILES: [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: 1 FORMULA: C7H16NO2 SMILES: CC(=O)OCC[N+](C)(C)C CHARGE: 0 FORMULA: C8H15NO6 SMILES: CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO CHARGE: 0 FORMULA: C5H5N5 SMILES: Nc1ncnc2[nH]cnc12 CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C72H100CoN18O17P SMILES: [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O CHARGE: -3 FORMULA: C10H12N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: -4 FORMULA: C15H20N5O17P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP([O-])([O-])=O CHARGE: -2 FORMULA: C15H21N5O14P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O CHARGE: -1 FORMULA: C22H35O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: 1 FORMULA: C9H14NO3 SMILES: CNCC(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C17H12O6 SMILES: [H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C14H20N6O5S SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O CHARGE: -4 FORMULA: C9H12N5O13P3 SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -2 FORMULA: C9H13N4O8P SMILES: NC(=O)c1ncn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c1N CHARGE: 0 FORMULA: C8H19NO6PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO[*] CHARGE: -2 FORMULA: C5H4O5 SMILES: [O-]C(=O)CCC(=O)C([O-])=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: NCCC(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@@H](N)C(O)=O CHARGE: 0 FORMULA: C3H7NO2 SMILES: C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C6H12N2O3 SMILES: C[C@@H](N)C(=O)N[C@H](C)C(O)=O CHARGE: 0 FORMULA: C21H28O5 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C19H30O2 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C25H38O8 SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: C7H6NO2 SMILES: Nc1ccccc1C([O-])=O CHARGE: 0 FORMULA: C11H12N2O SMILES: Cc1cc(=O)n(-c2ccccc2)n1C CHARGE: 0 FORMULA: C10H16O SMILES: CC1(C)C2CC3OC3(C)C1C2 CHARGE: 0 FORMULA: C10H16 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C CHARGE: 0 FORMULA: C21H32O2 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O CHARGE: 4 FORMULA: C62H93CoN13O15P SMILES: [H][O+]([H])[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O CHARGE: 0 FORMULA: C5H10O5 CHARGE: -1 FORMULA: C20H39O2 SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C41H70N7O17P3S SMILES: CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C20H31O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: 1 FORMULA: C6H15N4O2 SMILES: NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O CHARGE: -1 FORMULA: C6H7O6 SMILES: [H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO CHARGE: 0 FORMULA: C4H8N2O3 SMILES: N[C@@H](CC(N)=O)C(O)=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@H](CC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C4H6NO4 SMILES: [NH3+][C@@H](CC([O-])=O)C([O-])=O CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C29H50O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C29H44O2 SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CHARGE: 0 FORMULA: C1200000H2200000O1100000 CHARGE: -1 FORMULA: C4H7O3 SMILES: C[C@@H](O)CC([O-])=O CHARGE: -2 FORMULA: C45H50N4O18 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: 0 FORMULA: C39H44N4O12 SMILES: CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CHARGE: -2 FORMULA: C33H34N4O6 SMILES: CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C)c2CCC([O-])=O)c(CCC([O-])=O)c1C CHARGE: 0 FORMULA: C16H28N4O4S SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 CHARGE: 0 CHARGE: -1 FORMULA: C10H15N2O3S SMILES: [H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2 CHARGE: -1 FORMULA: C4H7O2 SMILES: CCCC([O-])=O CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 CHARGE: -1 FORMULA: C7H5O2 SMILES: [O-]C(=O)c1ccccc1 CHARGE: 0 FORMULA: C17H31NO4 CHARGE: 0 FORMULA: C17H33NO4 SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O CHARGE: 0 FORMULA: C11H21NO4 SMILES: CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C12H21NO4 CHARGE: 0 FORMULA: C12H21NO6 CHARGE: 0 FORMULA: C13H25NO4 SMILES: C(OC(CCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] CHARGE: 0 FORMULA: C29H48N7O17P3S SMILES: CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C15H27NO4 CHARGE: 0 FORMULA: C15H29NO4 SMILES: CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 2 FORMULA: Ca SMILES: [Ca++] CHARGE: -1 FORMULA: C10H11N5O6P SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O CHARGE: 0 FORMULA: C9H14N4O3 SMILES: NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 0 FORMULA: C40H56 SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C10H16O SMILES: CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1 CHARGE: -2 FORMULA: C5H6N2O5 SMILES: NC(=O)N[C@@H](CC([O-])=O)C([O-])=O CHARGE: -3 FORMULA: C9H12N3O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: -1 FORMULA: C11H19N4O11P2 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C5H10N2O3S SMILES: N[C@@H](CS)C(=O)NCC(O)=O CHARGE: 1 FORMULA: C5H14NO SMILES: C[N+](C)(C)CCO CHARGE: -1 FORMULA: C24H39O5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O CHARGE: 0 FORMULA: C27H46O SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CHARGE: 0 FORMULA: H41O16C24N3 NON_SPECIFIC_FORMULA: H2O(C8H13NO5)n CHARGE: -3 FORMULA: C6H5O7 SMILES: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O CHARGE: 0 FORMULA: C6H13N3O3 SMILES: N[C@@H](CCCNC(N)=O)C(O)=O CHARGE: -1 FORMULA: Cl SMILES: [Cl-] CHARGE: -1 FORMULA: C22H33O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O CHARGE: -2 FORMULA: C9H12N3O8P SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: CO2 SMILES: O=C=O CHARGE: 0 FORMULA: CO SMILES: [C-]#[O+] CHARGE: -4 FORMULA: C21H32N7O16P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C63H103N11O40 CHARGE: 0 FORMULA: C61H100N10O40 CHARGE: 0 FORMULA: C9H6O2 SMILES: O=c1ccc2ccccc2o1 CHARGE: 0 FORMULA: C4H9N3O2 SMILES: CN(CC(O)=O)C(N)=N CHARGE: 0 FORMULA: C19H36NO3R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O CHARGE: -2 FORMULA: C34H66NO6P NON_SPECIFIC_FORMULA: C19H35NO6PR SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC([*])=O CHARGE: 0 FORMULA: C7H15NO3 SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O CHARGE: 0 FORMULA: C21H30O5 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO CHARGE: 0 FORMULA: C21H30O4 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C(=O)CO CHARGE: -1 FORMULA: C22H31O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O CHARGE: 0 FORMULA: C4H5N3O SMILES: Nc1cc[nH]c(=O)n1 CHARGE: -4 FORMULA: C9H12N3O14P3 SMILES: Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: CHN SMILES: C#N CHARGE: -1 FORMULA: CNO SMILES: [O-]C#N CHARGE: 0 FORMULA: C3H7NO2S SMILES: N[C@@H](CS)C(O)=O CHARGE: 1 FORMULA: C2H8NS SMILES: [NH3+]CCS CHARGE: 0 FORMULA: C9H13N3O5 SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CHARGE: 0 FORMULA: C10H13N5O3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: 0 FORMULA: C35H68O5 NON_SPECIFIC_FORMULA: C20H37O5R SMILES: [*]OCC(CO[*])O[*] CHARGE: -4 FORMULA: C10H12N5O12P3 SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 CHARGE: -1 FORMULA: C10H19O2 SMILES: CCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C24H39O4 SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: -2 FORMULA: C9H12N3O7P SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 CHARGE: -1 FORMULA: C22H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O CHARGE: -4 FORMULA: C9H12N3O13P3 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 CHARGE: 0 FORMULA: C9H13N3O4 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CHARGE: -4 FORMULA: C33H52N7O17P3S SMILES: CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C19H37NO4 SMILES: CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: 0 FORMULA: C19H35NO4 CHARGE: 1 FORMULA: C10H14N3 SMILES: NC(=N)N1CCc2ccccc2C1 CHARGE: 0 FORMULA: C31H50N7O17P3S SMILES: CCCCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C17H29NO4 CHARGE: 0 FORMULA: C69H132N3O38P3 NON_SPECIFIC_FORMULA: C54H101N3O38P3R CHARGE: 0 FORMULA: C26H43NO5 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: -2 FORMULA: C10H12N5O7P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 CHARGE: 0 FORMULA: C71H138N4O41P4 NON_SPECIFIC_FORMULA: C56H107N4O41P4R CHARGE: 0 FORMULA: C10H13N5O4 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1 CHARGE: -4 FORMULA: C10H12N5O13P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 CHARGE: 0 FORMULA: C3H6O3 SMILES: OCC(=O)CO CHARGE: -2 FORMULA: C3H5O6P SMILES: OCC(=O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C6H5O6 SMILES: OCC(O)[C-]1OC(=O)C(=O)C1=O CHARGE: -1 FORMULA: C19H27O5S SMILES: C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H] CHARGE: -2 FORMULA: C19H19N7O6 SMILES: Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=Nc2c(=O)[nH]1 CHARGE: 0 FORMULA: C46H87NO16S NON_SPECIFIC_FORMULA: C31H56NO16SR CHARGE: 0 FORMULA: C10H12N4O4 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: -1 FORMULA: C20H33O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O CHARGE: 0 FORMULA: C10H10N2O SMILES: CC1=NN(C(=O)C1)c1ccccc1 CHARGE: 0 FORMULA: C16H31NO4 CHARGE: 0 FORMULA: C22H42O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O CHARGE: -1 FORMULA: C22H43O2 SMILES: CCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: 1 FORMULA: C8H12NO2 SMILES: [NH3+]CCc1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H11NO5S SMILES: NCCc1ccc(O)c(OS(O)(=O)=O)c1 CHARGE: -2 FORMULA: C21H33N7O13P2S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C5H10O4 SMILES: OC[C@@H](O)[C@@H](O)CC=O CHARGE: -3 FORMULA: C10H13N2O11P2 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -2 FORMULA: C10H13N2O8P SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: -4 FORMULA: C10H13N2O14P3 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C9H12N2O5 SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C17H12O7 SMILES: [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2 CHARGE: 0 FORMULA: C32H39NO2 CHARGE: 0 FORMULA: C32H39NO3 CHARGE: -1 FORMULA: C20H31O2 SMILES: OC([*])=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C\CCCCCCCC([O-])=O CHARGE: 0 FORMULA: C18H24O2 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 CHARGE: 0 FORMULA: C24H32O8 SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21 CHARGE: 0 FORMULA: C24H32O9 CHARGE: 0 FORMULA: C24H30O8 CHARGE: -1 FORMULA: C18H21O5S SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21 CHARGE: -1 FORMULA: C2H7NO4P SMILES: [NH3+]CCOP([O-])([O-])=O CHARGE: 0 FORMULA: C2H6O SMILES: CCO CHARGE: -2 FORMULA: C27H31N9O15P2 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C CHARGE: 0 FORMULA: CH2O SMILES: [H]C([H])=O CHARGE: 2 FORMULA: Fe SMILES: [Fe++] CHARGE: 3 FORMULA: Fe SMILES: [Fe+3] CHARGE: -2 FORMULA: C17H19N4O9P SMILES: C12=NC([N-]C(C1=NC=3C(N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)=CC(=C(C3)C)C)=O)=O CHARGE: -1 FORMULA: C19H18N7O6 SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 CHARGE: -1 FORMULA: CHO2 SMILES: [H]C([O-])=O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C80H143N3O37 NON_SPECIFIC_FORMULA: C65H112N3O37R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C6H12O5 CHARGE: 0 FORMULA: C80H143N3O36 NON_SPECIFIC_FORMULA: C65H112N3O36R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C77H137N3O35 NON_SPECIFIC_FORMULA: C62H106N3O35R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C86H153N3O41 NON_SPECIFIC_FORMULA: C71H122N3O41R CHARGE: 0 FORMULA: C106H186N4O55 NON_SPECIFIC_FORMULA: C91H155N4O55R CHARGE: 0 FORMULA: C92H163N3O45 NON_SPECIFIC_FORMULA: C77H132N3O45R CHARGE: 0 FORMULA: C72H130N2O31 NON_SPECIFIC_FORMULA: C57H99N2O31R CHARGE: 0 FORMULA: C66H120N2O27 NON_SPECIFIC_FORMULA: C51H89N2O27R CHARGE: 0 FORMULA: C78H140N2O36 NON_SPECIFIC_FORMULA: C63H109N2O36R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: -2 FORMULA: C4H2O4 SMILES: [O-]C(=O)\C=C\C([O-])=O CHARGE: -2 FORMULA: C6H11O9P SMILES: OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C80H143N3O38 NON_SPECIFIC_FORMULA: C65H112N3O38R CHARGE: 0 FORMULA: C72H130N2O32 NON_SPECIFIC_FORMULA: C57H99N2O32R CHARGE: 0 FORMULA: C86H153N3O42 NON_SPECIFIC_FORMULA: C71H122N3O42R CHARGE: 0 FORMULA: C112H196N4O61 NON_SPECIFIC_FORMULA: C97H165N4O61R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C70H127NO33 NON_SPECIFIC_FORMULA: C55H96NO33R CHARGE: 0 FORMULA: C25H46NO8R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 1 FORMULA: C6H14NO5 CHARGE: 0 FORMULA: C60H110N2O23 NON_SPECIFIC_FORMULA: C45H79N2O23R SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O CHARGE: 0 FORMULA: C26H43NO6 SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O CHARGE: -3 FORMULA: C10H12N5O11P2 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C6H12O6 SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -1 FORMULA: C6H9O7 CHARGE: 0 FORMULA: C1200026H2200043NO1100006 CHARGE: 0 FORMULA: C5H10N2O3 SMILES: N[C@@H](CCC(N)=O)C(O)=O CHARGE: 0 FORMULA: C1200026H2200045NO1100007S CHARGE: -1 FORMULA: C5H8NO4 SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C8H13N2O5 SMILES: C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: C[N+](C)(C)CC([O-])=O CHARGE: -2 FORMULA: C3H7O6P SMILES: OC[C@@H](O)COP([O-])([O-])=O CHARGE: -1 FORMULA: C3H5O4 SMILES: OCC(O)C([O-])=O CHARGE: 0 FORMULA: C3H8O3 SMILES: OCC(O)CO CHARGE: 0 FORMULA: C4H8N2O3 SMILES: NCC(=O)NCC(O)=O CHARGE: 0 FORMULA: C1797H3267N455O892S14 CHARGE: 0 FORMULA: C1749H3187N455O852S14 CHARGE: 0 FORMULA: C1743H3177N455O847S14 CHARGE: 0 FORMULA: C8H16N2O3 CHARGE: 0 FORMULA: C11H14N2O3 CHARGE: 0 FORMULA: C7H12N2O3 SMILES: NCC(=O)N1CCC[C@H]1C(O)=O CHARGE: 0 FORMULA: C5H10N2O3 CHARGE: -2 FORMULA: C10H12N5O8P SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C77H126N12O50 CHARGE: 0 FORMULA: X CHARGE: 0 FORMULA: C10H13N5O5 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C93H161N5O47 NON_SPECIFIC_FORMULA: C78H130N5O47R SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO CHARGE: -2 FORMULA: C20H30N6O12S2 SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -1 FORMULA: C10H16N3O6S SMILES: [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC([O-])=O)C([O-])=O CHARGE: -4 FORMULA: C10H12N5O14P3 SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C5H5N5O SMILES: Nc1nc2[nH]cnc2c(=O)[nH]1 CHARGE: 0 FORMULA: C2760000H5060000O2530000 CHARGE: 0 FORMULA: C2760026H5060043NO2530006 CHARGE: 0 FORMULA: C2760026H5060045NO2530007S CHARGE: 0 FORMULA: H2O2 SMILES: [H]OO[H] CHARGE: 0 FORMULA: H2O SMILES: [H]O[H] CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: 0 FORMULA: C28H42N2O22 NON_SPECIFIC_FORMULA: (C14H21NO11)n CHARGE: -1 FORMULA: C14H20NO11 SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O CHARGE: -1 FORMULA: CHO3 SMILES: OC([O-])=O CHARGE: 0 FORMULA: C9H6O3 SMILES: Oc1ccc2ccc(=O)oc2c1 CHARGE: -1 FORMULA: C16H29O2 SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: 0 FORMULA: C18H24O3 CHARGE: -1 FORMULA: C26H51O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C6H9N3O2 SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O CHARGE: 1 FORMULA: C5H10N3 SMILES: [NH3+]CCc1c[nH]cn1 CHARGE: 0 FORMULA: C4H9NO3 SMILES: N[C@@H](CCO)C(O)=O CHARGE: -1 FORMULA: C17H33O2 SMILES: CCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H27O3 SMILES: CC(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(C)=C/C(O)=O CHARGE: 0 FORMULA: C47H51NO15 SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)[C@H](O)[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHARGE: 0 FORMULA: C5H4N4O SMILES: O=c1[nH]cnc2nc[nH]c12 CHARGE: 0 FORMULA: C2H7NO2S SMILES: NCCS(O)=O CHARGE: -1 FORMULA: I SMILES: [I-] CHARGE: -1 FORMULA: C6H9O7 SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O CHARGE: -3 FORMULA: C10H11N4O11P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC[C@H](C)[C@H](N)C(O)=O CHARGE: -2 FORMULA: C10H11N4O8P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C6H12O6 SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CHARGE: 0 FORMULA: C10H12N4O5 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12 CHARGE: -4 FORMULA: C10H11N4O14P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O CHARGE: 0 FORMULA: C12H23NO4 CHARGE: 1 FORMULA: K SMILES: [K+] CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@@H](O)C([O-])=O CHARGE: -1 FORMULA: C3H5O3 SMILES: C[C@H](O)C([O-])=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C6H13NO2 SMILES: CC(C)C[C@H](N)C(O)=O CHARGE: 0 FORMULA: C8H16N2O3 CHARGE: -1 FORMULA: C20H29O3 SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O4 SMILES: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C30H45N3O9S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -1 FORMULA: C25H39N2O6S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O CHARGE: -1 FORMULA: C23H36NO5S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H]([NH3+])C([O-])=O)[C@@H](O)CCCC([O-])=O CHARGE: -2 FORMULA: C28H42N2O8S SMILES: CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O CHARGE: 0 FORMULA: C12H24N2O3 CHARGE: -1 FORMULA: C24H47O2 SMILES: CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C10H16 SMILES: CC(=C)C1CCC(C)=CC1 CHARGE: -1 FORMULA: C8H13O2S2 SMILES: [O-]C(=O)CCCCC1CCSS1 CHARGE: -1 FORMULA: C18H31O2 SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H29O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: 0 FORMULA: C24H50NO7P NON_SPECIFIC_FORMULA: C9H19NO7PR SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(CO)OC([*])=O CHARGE: 1 FORMULA: C6H15N2O2 SMILES: [NH3+]CCCC[C@H]([NH3+])C([O-])=O CHARGE: 0 FORMULA: C19H38O4 NON_SPECIFIC_FORMULA: C4H7O4R SMILES: [*]OCC(CO[*])O[*] CHARGE: -2 FORMULA: C4H4O5 SMILES: O[C@@H](CC([O-])=O)C([O-])=O CHARGE: -5 FORMULA: C24H33N7O19P3S SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C42H72O36 CHARGE: 0 FORMULA: C36H62O31 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C30H52O26 SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C18H32O16 SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C24H42O21 SMILES: OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C91H172N3O44P3 NON_SPECIFIC_FORMULA: C76H141N3O44P3R CHARGE: 0 FORMULA: CH4O SMILES: CO CHARGE: 1 FORMULA: C10H16NO3 SMILES: CNC[C@H](O)c1ccc(O)c(OC)c1 CHARGE: 0 FORMULA: C5H11NO2S SMILES: CSCC[C@H](N)C(O)=O CHARGE: 0 FORMULA: C3H4O2 SMILES: [H]C(=O)C(C)=O CHARGE: 0 FORMULA: C62H101N7O42 CHARGE: 0 FORMULA: C78H127N9O52 CHARGE: 1 FORMULA: Na SMILES: [Na+] CHARGE: -1 FORMULA: C6H4NO2 SMILES: OC(=O)c1cccnc1 CHARGE: -1 FORMULA: C21H26N7O14P2 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: -3 FORMULA: C21H25N7O17P3 SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CHARGE: 0 FORMULA: C6H6N2O SMILES: NC(=O)c1cccnc1 CHARGE: 1 FORMULA: H4N SMILES: [H][N+]([H])([H])[H] CHARGE: -1 FORMULA: NO2 SMILES: [O-]N=O CHARGE: 0 FORMULA: NO SMILES: [N]=O CHARGE: 0 FORMULA: C10H8 SMILES: c1ccc2ccccc2c1 CHARGE: 1 FORMULA: C8H12NO3 SMILES: NCC(O)c1ccc(O)c(O)c1 CHARGE: 0 FORMULA: C8H11NO6S CHARGE: -1 FORMULA: C24H45O2 SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: O2 SMILES: O=O CHARGE: -1 FORMULA: O2 SMILES: [O][O-] CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCCCC\C=C/CCCCCCCC([O-])=O CHARGE: -1 FORMULA: C8H15O2 SMILES: C(CCCCCC)C(=O)[O-] CHARGE: -4 FORMULA: C39H64N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: OH CHARGE: 0 FORMULA: C17H19N3O3S CHARGE: 0 FORMULA: C10H8O SMILES: O1C2C=Cc3ccccc3C12 CHARGE: -3 FORMULA: C20H25O3 CHARGE: 1 FORMULA: C5H13N2O2 SMILES: NCCCC(N)C(O)=O CHARGE: -1 FORMULA: C5H3N2O4 SMILES: [O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 CHARGE: -2 FORMULA: C2O4 SMILES: [O-]C(=O)C([O-])=O CHARGE: 0 FORMULA: C10H21NO7PR SMILES: CC(=O)O[C@H](CO[*])COP([O-])(=O)OCC[N+](C)(C)C CHARGE: -2 FORMULA: C11H21N2O7PS SMILES: CC(C)(COP([O-])([O-])=O)C(O)C(=O)NCCC(=O)NCCS CHARGE: 0 FORMULA: C40H80NO8P NON_SPECIFIC_FORMULA: C10H18NO8PR2 SMILES: C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C37H74NO8P NON_SPECIFIC_FORMULA: C7H12NO8PR2 SMILES: NCCOP(O)(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C2561H3553NO2541 CHARGE: 0 FORMULA: C2561H3555NO2542S CHARGE: 0 FORMULA: C7H13N3O2R2 CHARGE: 0 FORMULA: C10H16O SMILES: CC(=C)C1CCC(CO)=CC1 CHARGE: -1 FORMULA: C38H74O10P NON_SPECIFIC_FORMULA: C36H69O10PR SMILES: OCC(O)COP([O-])(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C9H11NO2 SMILES: N[C@@H](Cc1ccccc1)C(O)=O CHARGE: 0 FORMULA: C13H16N2O4 SMILES: NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C([O-])=O CHARGE: -2 FORMULA: C34FeH30N4O4 SMILES: CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Fe--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2 CHARGE: 0 FORMULA: C31H46O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O CHARGE: -1 FORMULA: C20H39O2 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O CHARGE: -2 FORMULA: HO4P SMILES: OP([O-])([O-])=O CHARGE: -1 FORMULA: C16H31O2 SMILES: CCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C37H62N7O17P3S SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -1 FORMULA: C9H16NO5 SMILES: CC(C)(CO)C(O)C(=O)NCCC(O)=O CHARGE: -1 FORMULA: C3H5O2 SMILES: CCC([O-])=O CHARGE: -3 FORMULA: HO7P2 SMILES: OP([O-])(=O)OP([O-])([O-])=O CHARGE: 0 FORMULA: X CHARGE: 0 FORMULA: C21H30O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@H]1CCCN1 CHARGE: 0 FORMULA: C5H9NO2 SMILES: OC(=O)[C@@H]1CCCN1 CHARGE: 0 FORMULA: C7H12N2O3 SMILES: OC(=O)CNC(=O)[C@@H]1CCCN1 CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O CHARGE: -1 FORMULA: C20H33O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H33O5 SMILES: [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: -1 FORMULA: C20H31O5 SMILES: [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O CHARGE: -5 FORMULA: C5H8O14P3 SMILES: O[C@H]1[C@@H](O)[C@H](O[C@@H]1COP([O-])([O-])=O)OP([O-])(=O)OP([O-])([O-])=O CHARGE: -1 FORMULA: C38H73NO10P NON_SPECIFIC_FORMULA: C23H42NO10PR SMILES: [NH3+][C@@H](COP([O-])(=O)OCC(COC([*])=O)OC([*])=O)C([O-])=O CHARGE: 0 FORMULA: C9642006H15428700O8667414 CHARGE: 0 FORMULA: C9642032H15428743NO8667420 CHARGE: 0 FORMULA: C9642032H15428745NO8667421S CHARGE: -1 FORMULA: C15H29O2 SMILES: CCCCCCCCCCCCCCC(O)=O CHARGE: 2 FORMULA: C4H14N2 SMILES: [NH3+]CCCC[NH3+] CHARGE: 0 FORMULA: C11H22N2O4S SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS CHARGE: 1 FORMULA: C8H13N2O2 SMILES: Cc1ncc(CO)c(C[NH3+])c1O CHARGE: -2 FORMULA: C8H8NO6P SMILES: [H]C(=O)c1c(COP([O-])([O-])=O)cnc(C)c1O CHARGE: 0 FORMULA: C8H9NO3 SMILES: [H]C(=O)c1c(CO)cnc(C)c1O CHARGE: 0 FORMULA: C8H11NO3 SMILES: Cc1ncc(CO)c(CO)c1O CHARGE: -1 FORMULA: C3H3O3 SMILES: CC(=O)C([O-])=O CHARGE: 0 FORMULA: C59H90O4 SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O CHARGE: 0 FORMULA: C59H92O4 SMILES: COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)[C@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C36H60O2 NON_SPECIFIC_FORMULA: C21H29O2R CHARGE: 0 FORMULA: C20H30O SMILES: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO CHARGE: 0 FORMULA: C20H30O SMILES: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO CHARGE: 0 FORMULA: C20H30O SMILES: CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO CHARGE: -1 FORMULA: C20H27O2 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O CHARGE: -1 FORMULA: C26H35O8 SMILES: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: 0 FORMULA: C5H10O5 CHARGE: 0 FORMULA: C17H20N4O6 SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C CHARGE: 0 FORMULA: C3H7NO2 SMILES: CNCC(O)=O CHARGE: 0 FORMULA: C6H14O6 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO CHARGE: -2 FORMULA: O4Se SMILES: [O-][Se]([O-])(=O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@H](CO)C(O)=O CHARGE: 0 FORMULA: C3H7NO3 SMILES: N[C@@H](CO)C(O)=O CHARGE: -2 FORMULA: C3H4O6S SMILES: O[C@H](CS([O-])(=O)=O)C([O-])=O CHARGE: 1 FORMULA: C3H8NO5S2 SMILES: N[C@@H](CSS(O)(=O)=O)C(O)=O CHARGE: -2 FORMULA: O3S SMILES: OS([O-])=O CHARGE: -2 FORMULA: O4S SMILES: [O-]S([O-])(=O)=O CHARGE: 1 FORMULA: C23H50N2O5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(=O)OCC[N+](C)(C)C CHARGE: -1 FORMULA: C18H39NO5P SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: -1 FORMULA: C18H37NO5P SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CHARGE: 3 FORMULA: C7H22N3 SMILES: [NH3+]CCCC[NH2+]CCC[NH3+] CHARGE: 4 FORMULA: C10H30N4 SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] CHARGE: 1 FORMULA: C10H13N2O SMILES: [NH3+]CCc1c[nH]c2ccc(O)cc12 CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C66H112O56 CHARGE: 0 FORMULA: C18H32O16 CHARGE: -1 FORMULA: C18H27O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O CHARGE: -2 FORMULA: C4H4O4 SMILES: [O-]C(=O)CCC([O-])=O CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C51H98O6 NON_SPECIFIC_FORMULA: C21H36O6R2 SMILES: [*]C(=O)OCC(COC([*])=O)OC([*])=O CHARGE: 0 FORMULA: C6H12O6 CHARGE: 0 FORMULA: C2H7NO3S SMILES: NCCS(O)(=O)=O CHARGE: 0 FORMULA: C47H51NO14 SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C CHARGE: 0 FORMULA: C26H45NO7S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: -1 FORMULA: CNS SMILES: [S-]C#N CHARGE: -1 FORMULA: C14H27O2 SMILES: C(CCCCCCCC)CCCCC([O-])=O CHARGE: 0 FORMULA: C26H45NO6S SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O CHARGE: 0 FORMULA: C21H41NO4 SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C26H44NO6S SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHARGE: 0 FORMULA: C21H37NO4 CHARGE: -4 FORMULA: C35H56N7O17P3S SMILES: CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: 0 FORMULA: C21H39NO4 CHARGE: -1 FORMULA: C24H35O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -1 FORMULA: C24H37O2 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC([O-])=O CHARGE: -2 FORMULA: C19H21N7O6 SMILES: Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 CHARGE: 1 FORMULA: C12H17N4OS SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 CHARGE: -1 FORMULA: C12H16N4O4PS SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1 CHARGE: -3 FORMULA: C12H16N4O10P3S SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1 CHARGE: 0 FORMULA: C4H9NO3 SMILES: C[C@@H](O)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C5H6N2O2 SMILES: Cc1c[nH]c(=O)[nH]c1=O CHARGE: 0 FORMULA: C10H14N2O5 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O CHARGE: 0 FORMULA: C15H11I4NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C20H29O2 SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CHARGE: 0 FORMULA: C12H18N2O3S SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 CHARGE: 0 FORMULA: C12H22O11 SMILES: OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: 0 FORMULA: C15H12I3NO4 SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O CHARGE: -1 FORMULA: C15H11I3NO7S SMILES: N[C@@H](Cc1cc(I)c(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O CHARGE: 0 FORMULA: C11H12N2O2 SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O CHARGE: 0 FORMULA: C19H28O2 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: 0 FORMULA: C25H36O8 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CHARGE: -2 FORMULA: O3S2 SMILES: [O-]S([S-])(=O)=O CHARGE: -1 FORMULA: C20H31O5 SMILES: CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC([O-])=O CHARGE: 0 FORMULA: C8H11NO4S CHARGE: 0 FORMULA: C9H11NO3 SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O CHARGE: -3 FORMULA: C9H11N2O12P2 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O CHARGE: -2 FORMULA: C15H22N2O17P2 SMILES: OC[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O CHARGE: -2 FORMULA: C9H11N2O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: 0 FORMULA: C4H4N2O2 SMILES: O=c1cc[nH]c(=O)[nH]1 CHARGE: 0 FORMULA: C5H4N4O3 SMILES: O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 CHARGE: 0 FORMULA: CH4N2O SMILES: NC(N)=O CHARGE: 0 FORMULA: C9H12N2O6 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -4 FORMULA: C9H11N2O15P3 SMILES: O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O CHARGE: -1 FORMULA: C18H33O2 SMILES: CCCCCC\C=C\CCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C5H11NO2 SMILES: CC(C)[C@H](N)C(O)=O CHARGE: 0 FORMULA: C28H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C CHARGE: 0 FORMULA: C27H44O SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C CHARGE: -1 FORMULA: C12H23O3 SMILES: CCCCCCCCCCCCCC(O)CC(O)=O CHARGE: -1 FORMULA: C16H31O3 SMILES: OCCCCCCCCCCCCCCCC([O-])=O CHARGE: 0 FORMULA: C19H28O3 SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] CHARGE: -2 FORMULA: C10H11N4O9P SMILES: O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O CHARGE: 0 FORMULA: C43H76O2 NON_SPECIFIC_FORMULA: C28H45O2R SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC([*])=O)[C@H](C)CCCC(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O CHARGE: 0 FORMULA: C27H46O3 SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO CHARGE: 0 FORMULA: C5H10O5 SMILES: OC[C@@H](O)[C@H](O)[C@@H](O)C=O CHARGE: 0 FORMULA: C5H12O5 SMILES: OC[C@H](O)[C@@H](O)[C@H](O)CO CHARGE: 0 FORMULA: C28H48O2 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CHARGE: 0 CHARGE: 0 CHARGE: 0 CHARGE: 0 CHARGE: 0 CHARGE: 0 CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C20H28O SMILES: [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C CHARGE: 0 FORMULA: C8H9NO2 CHARGE: 0 FORMULA: C8H9NO2 CHARGE: 0 FORMULA: C8H9NO2 CHARGE: -1 FORMULA: C14H16NO8 CHARGE: -1 FORMULA: C14H16NO8 CHARGE: -1 FORMULA: C14H16NO8 CHARGE: 0 FORMULA: C5H4N4O CHARGE: 0 FORMULA: C5H4N4O CHARGE: 0 FORMULA: C5H4N4O2 CHARGE: 0 FORMULA: C5H4N4O2 CHARGE: 0 FORMULA: C10H12N4O7 CHARGE: 0 FORMULA: C10H12N4O7 CHARGE: 0 FORMULA: C10H12N4O7 CHARGE: 0 FORMULA: C10H12N4O7 CHARGE: -2 FORMULA: C14H20N2O17P2 CHARGE: -1 FORMULA: C19H25O8 CHARGE: -1 FORMULA: C19H25O8 CHARGE: -1 FORMULA: C19H25O8 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -1 FORMULA: C15H22NO4S CHARGE: -1 FORMULA: C15H22NO4S CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -2 FORMULA: C19H22O10 CHARGE: -2 FORMULA: C19H22O10 CHARGE: -2 FORMULA: C19H22O10 CHARGE: 0 FORMULA: C24H36O5 CHARGE: 0 FORMULA: C24H36O5 CHARGE: 0 FORMULA: C24H36O5 CHARGE: 0 FORMULA: C24H36O6 CHARGE: 0 FORMULA: C24H36O6 CHARGE: 0 FORMULA: C24H36O6 CHARGE: 0 FORMULA: C24H36O6 CHARGE: 0 FORMULA: C24H36O6 CHARGE: 0 FORMULA: C24H34O5 CHARGE: 0 FORMULA: C24H34O5 CHARGE: 0 FORMULA: C24H34O5 CHARGE: -1 FORMULA: C24H37O6 CHARGE: -1 FORMULA: C24H37O6 CHARGE: -1 FORMULA: C24H37O6 CHARGE: -1 FORMULA: C24H37O7 CHARGE: -1 FORMULA: C24H37O7 CHARGE: -1 FORMULA: C24H37O7 CHARGE: -1 FORMULA: C24H37O7 CHARGE: -1 FORMULA: C24H35O6 CHARGE: -1 FORMULA: C24H35O6 CHARGE: -1 FORMULA: C24H35O6 CHARGE: -1 FORMULA: C24H37O7 CHARGE: -1 FORMULA: C24H37O7 CHARGE: 0 FORMULA: C25H38O5 CHARGE: 0 FORMULA: C25H38O5 CHARGE: 0 FORMULA: C25H38O5 CHARGE: -1 FORMULA: C25H39O6 CHARGE: -1 FORMULA: C25H39O6 CHARGE: -1 FORMULA: C25H39O6 CHARGE: -1 FORMULA: C31H47O12 CHARGE: 0 FORMULA: C25H38O6 CHARGE: 0 FORMULA: C25H38O6 CHARGE: 0 FORMULA: C25H38O6 CHARGE: 0 FORMULA: C25H38O6 CHARGE: 0 FORMULA: C25H36O5 CHARGE: 0 FORMULA: C25H38O6 CHARGE: 0 FORMULA: C25H38O6 CHARGE: -1 FORMULA: C25H35O7 CHARGE: -1 FORMULA: C25H35O7 CHARGE: 0 FORMULA: C25H40O7 CHARGE: 0 FORMULA: C25H40O7 CHARGE: 0 FORMULA: C25H40O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -2 FORMULA: C25H36O8 CHARGE: -2 FORMULA: C25H36O8 CHARGE: -1 FORMULA: C33H34FN2O5 CHARGE: -1 FORMULA: C33H34FN2O5 CHARGE: -1 FORMULA: C33H34FN2O5 CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: 0 FORMULA: C33H33FN2O4 CHARGE: 0 FORMULA: C33H33FN2O4 CHARGE: 0 FORMULA: C33H33FN2O4 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: -1 FORMULA: C39H42FN2O11 CHARGE: -1 FORMULA: C39H40FN2O10 CHARGE: -3 FORMULA: C45H48FN2O17 CHARGE: -1 FORMULA: C39H40FN2O11 CHARGE: -1 FORMULA: C39H40FN2O11 CHARGE: -1 FORMULA: C39H40FN2O11 CHARGE: -1 FORMULA: C39H42FN2O12 CHARGE: -1 FORMULA: C39H42FN2O12 CHARGE: -1 FORMULA: C39H42FN2O12 CHARGE: 0 FORMULA: C23H36O7 SMILES: [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC CHARGE: 0 FORMULA: C23H36O7 SMILES: [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC CHARGE: 0 FORMULA: C23H36O7 SMILES: [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC CHARGE: 0 FORMULA: C18H25O5 CHARGE: 0 FORMULA: C18H25O5 CHARGE: 0 FORMULA: C18H25O5 CHARGE: 0 FORMULA: C23H36O7 CHARGE: 0 FORMULA: C23H36O7 CHARGE: -1 FORMULA: C29H43O13 CHARGE: -1 FORMULA: C29H43O13 CHARGE: -1 FORMULA: C29H43O13 CHARGE: 0 FORMULA: C23H36O9 CHARGE: 0 FORMULA: C23H36O9 CHARGE: 0 FORMULA: C23H36O9 CHARGE: 0 FORMULA: C23H38O9 CHARGE: 0 FORMULA: C23H38O9 CHARGE: 0 FORMULA: C23H38O9 CHARGE: 0 FORMULA: C23H36O7 CHARGE: 0 FORMULA: C23H36O7 CHARGE: 0 FORMULA: C23H36O7 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C23H36O8 CHARGE: 0 FORMULA: C23H36O8 CHARGE: 0 FORMULA: C23H36O8 CHARGE: 0 FORMULA: C19H28O6 CHARGE: 0 FORMULA: C19H28O6 CHARGE: -1 FORMULA: C23H35O9 CHARGE: -1 FORMULA: C23H35O9 CHARGE: -1 FORMULA: C23H35O9 CHARGE: -3 FORMULA: C44H67N7O23P3S CHARGE: -3 FORMULA: C44H67N7O23P3S CHARGE: -3 FORMULA: C44H67N7O23P3S CHARGE: -3 FORMULA: C40H59N7O21P3S CHARGE: -3 FORMULA: C40H59N7O21P3S CHARGE: -3 FORMULA: C40H59N7O21P3S CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: 0 FORMULA: C21H19FNNaO4 CHARGE: 0 FORMULA: C21H19FNNaO4 CHARGE: 0 FORMULA: C21H19FNNaO4 CHARGE: 0 FORMULA: C18H16FNNaO2 CHARGE: 0 FORMULA: C18H16FNNaO2 CHARGE: 0 FORMULA: C17H13FNNaO2 CHARGE: 0 FORMULA: C17H13FNNaO2 CHARGE: 0 FORMULA: C17H13FNNaO2 CHARGE: 0 FORMULA: C24H23FNNaO3 CHARGE: 0 FORMULA: C24H23FNNaO3 CHARGE: 0 FORMULA: C24H23FNNaO3 CHARGE: 0 FORMULA: C22H21FNNaO2 CHARGE: 0 FORMULA: C22H21FNNaO2 CHARGE: 0 FORMULA: C22H21FNNaO2 CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: -4 FORMULA: C45H55FN8NaO19P3S CHARGE: -4 FORMULA: C45H55FN8NaO19P3S CHARGE: -4 FORMULA: C37H42FN8NaO17P3S CHARGE: -4 FORMULA: C37H42FN8NaO17P3S CHARGE: -1 FORMULA: C30H32FNNaO10 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C23H20FNNaO8 CHARGE: -1 FORMULA: C23H20FNNaO8 CHARGE: -1 FORMULA: C23H20FNNaO8 CHARGE: 0 FORMULA: C25H31FNNaO5 CHARGE: 0 FORMULA: C25H31FNNaO5 CHARGE: 0 FORMULA: C25H31FNNaO5 CHARGE: 0 FORMULA: C24H29FNNaO5 CHARGE: 0 FORMULA: C24H29FNNaO5 CHARGE: 0 FORMULA: C24H29FNNaO5 CHARGE: 0 FORMULA: C25H31FNNaO6 CHARGE: 0 FORMULA: C25H31FNNaO6 CHARGE: 0 FORMULA: C25H31FNNaO6 CHARGE: 0 FORMULA: C24H29FNNaO6 CHARGE: 0 FORMULA: C24H29FNNaO6 CHARGE: 0 FORMULA: C24H29FNNaO6 CHARGE: 0 FORMULA: C25H29FNNaO4 CHARGE: 0 FORMULA: C25H29FNNaO4 CHARGE: 0 FORMULA: C26H31FNNaO5 CHARGE: 0 FORMULA: C26H31FNNaO5 CHARGE: -1 FORMULA: C30H36FNNaO11 CHARGE: -1 FORMULA: C31H38FNNaO12 CHARGE: 0 FORMULA: C44H54CaF2N6O12S2 CHARGE: 0 FORMULA: C44H54CaF2N6O12S2 CHARGE: 0 FORMULA: C44H54CaF2N6O12S2 CHARGE: -2 FORMULA: C42H48CaF2N6O12S2 CHARGE: -2 FORMULA: C42H48CaF2N6O12S2 CHARGE: -2 FORMULA: C42H48CaF2N6O12S2 CHARGE: 2 FORMULA: C44H52CaF2N6O10S2 CHARGE: 2 FORMULA: C44H52CaF2N6O10S2 CHARGE: 2 FORMULA: C44H52CaF2N6O10S2 CHARGE: 0 FORMULA: C56H70CaF2N6O24S2 CHARGE: 0 FORMULA: C50H46CaF2N2O8 CHARGE: 0 FORMULA: C50H46CaF2N2O8 CHARGE: 0 FORMULA: C50H46CaF2N2O8 CHARGE: 0 FORMULA: C50H42CaF2N2O8 CHARGE: 0 FORMULA: C50H42CaF2N2O8 CHARGE: 0 FORMULA: C50H42CaF2N2O8 CHARGE: 0 FORMULA: C62H62CaF2N2O20 CHARGE: 2 FORMULA: C50H44CaF2N2O6 CHARGE: 2 FORMULA: C50H44CaF2N2O6 CHARGE: 2 FORMULA: C50H44CaF2N2O6 CHARGE: 0 FORMULA: C50H46CaF2N2O10 CHARGE: 0 FORMULA: C50H46CaF2N2O10 CHARGE: 0 FORMULA: C50H46CaF2N2O10 CHARGE: 0 FORMULA: C8H9NO3 CHARGE: 0 FORMULA: C8H9NO3 CHARGE: 0 FORMULA: C8H9NO3 CHARGE: 0 FORMULA: C9H11NO3 CHARGE: 0 FORMULA: C9H11NO3 CHARGE: 0 FORMULA: C8H7NO2 SMILES: CC(=O)N=C1C=CC(=O)C=C1 CHARGE: -1 FORMULA: C8H8NO5S CHARGE: -1 FORMULA: C8H8NO5S CHARGE: 0 FORMULA: C18H24N4O8S SMILES: CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1 CHARGE: 0 FORMULA: C18H24N4O8S SMILES: CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1 CHARGE: 0 FORMULA: C18H24N4O8S SMILES: CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1 CHARGE: 0 FORMULA: C11H14N2O4S CHARGE: 0 FORMULA: C11H14N2O4S CHARGE: 0 FORMULA: C11H14N2O4S CHARGE: -1 FORMULA: C13H15N2O5S CHARGE: -1 FORMULA: C13H15N2O5S CHARGE: -1 FORMULA: C14H16NO9 CHARGE: -1 FORMULA: C14H16NO9 CHARGE: -1 FORMULA: C14H16NO9 CHARGE: -1 FORMULA: C8H8NO6S CHARGE: -1 FORMULA: C8H8NO6S CHARGE: 0 FORMULA: C9H11NO2S CHARGE: 0 FORMULA: C9H11NO2S CHARGE: 0 FORMULA: C9H11NO3S CHARGE: 0 FORMULA: C9H11NO3S CHARGE: -1 FORMULA: C15H18NO8S CHARGE: -1 FORMULA: C15H18NO8S CHARGE: -1 FORMULA: C15H18NO8S CHARGE: -1 FORMULA: C9H10NO5S2 CHARGE: -1 FORMULA: C9H10NO5S2 CHARGE: -1 FORMULA: C15H18NO9S CHARGE: -1 FORMULA: C15H18NO9S CHARGE: -1 FORMULA: C15H18NO9S CHARGE: -1 FORMULA: C9H10NO6S2 CHARGE: -1 FORMULA: C9H10NO6S2 CHARGE: 0 FORMULA: C62H111N11O12 CHARGE: 0 FORMULA: C62H111N11O12 CHARGE: 0 FORMULA: C62H111N11O12 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C61H109N11O12 CHARGE: 0 FORMULA: C61H109N11O12 CHARGE: 0 FORMULA: C61H109N11O12 CHARGE: 0 FORMULA: C62H109N11O13 CHARGE: 0 FORMULA: C62H109N11O13 CHARGE: 0 FORMULA: C62H109N11O13 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C61H109N11O14 CHARGE: 0 FORMULA: C61H109N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: 0 FORMULA: C61H109N11O13 CHARGE: 0 FORMULA: C61H109N11O13 CHARGE: 0 FORMULA: C61H109N11O13 CHARGE: -1 FORMULA: C68H118N11O19 CHARGE: -1 FORMULA: C68H118N11O19 CHARGE: -1 FORMULA: C68H118N11O19 CHARGE: -1 FORMULA: C62H110N11O15S CHARGE: -1 FORMULA: C62H110N11O15S CHARGE: -1 FORMULA: C61H106N11O14 CHARGE: -1 FORMULA: C61H106N11O14 CHARGE: 0 FORMULA: C18H13ClFN3 SMILES: Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 CHARGE: 0 FORMULA: C18H13ClFN3 SMILES: Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 CHARGE: 0 FORMULA: C18H13ClFN3 SMILES: Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 CHARGE: 0 FORMULA: C24H21ClFN3O6 CHARGE: 0 FORMULA: C24H21ClFN3O6 CHARGE: 0 FORMULA: C24H21ClFN3O6 CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C18H13ClFN3O2 CHARGE: 0 FORMULA: C18H13ClFN3O2 CHARGE: 0 FORMULA: C18H13ClFN3O2 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: -1 FORMULA: C15H20N3O3S CHARGE: -1 FORMULA: C15H20N3O3S CHARGE: -1 FORMULA: C15H20N3O3S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -2 FORMULA: C15H17N3O5S CHARGE: -2 FORMULA: C15H17N3O5S CHARGE: -2 FORMULA: C15H17N3O5S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H18N3O3S CHARGE: -1 FORMULA: C15H18N3O3S CHARGE: -1 FORMULA: C22H22ClN6O CHARGE: -1 FORMULA: C22H22ClN6O CHARGE: -1 FORMULA: C22H22ClN6O CHARGE: -2 FORMULA: C22H19ClN6O2 CHARGE: -2 FORMULA: C22H19ClN6O2 CHARGE: -2 FORMULA: C22H19ClN6O2 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -2 FORMULA: C28H27ClN6O8 CHARGE: -2 FORMULA: C28H27ClN6O8 CHARGE: -2 FORMULA: C28H27ClN6O8 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C16H19N4O3S CHARGE: -1 FORMULA: C16H19N4O3S CHARGE: -1 FORMULA: C16H19N4O3S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -2 FORMULA: C16H16N4O5S CHARGE: -2 FORMULA: C16H16N4O5S CHARGE: -2 FORMULA: C16H16N4O5S CHARGE: 0 FORMULA: C16H12N2O6 CHARGE: 0 FORMULA: C16H12N2O6 CHARGE: 0 FORMULA: C44H69NO12 CHARGE: 0 FORMULA: C44H69NO12 CHARGE: 0 FORMULA: C44H69NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C44H69NO13 CHARGE: 0 FORMULA: C44H69NO13 CHARGE: 0 FORMULA: C44H69NO13 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C41H63NO14 CHARGE: 0 FORMULA: C41H63NO14 CHARGE: 0 FORMULA: C41H63NO14 CHARGE: 0 FORMULA: C2H5NO2 SMILES: NCC(O)=O CHARGE: -4 FORMULA: C10H11N5O10P2 SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: -4 FORMULA: C10H11N5O13P2S SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O CHARGE: 0 FORMULA: C44H69NO13 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: 0 FORMULA: C18H13ClFN3O2 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C42H65NO12 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: -1 FORMULA: C39H42FN2O12 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: -1 FORMULA: C39H40FN2O11 CHARGE: -1 FORMULA: C19H25O9 CHARGE: 0 FORMULA: C43H67NO12 CHARGE: -1 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C25H40O7 CHARGE: -1 FORMULA: C19H25O9 CHARGE: -1 FORMULA: C24H37O7 CHARGE: 0 FORMULA: C23H36O8 CHARGE: 0 FORMULA: C19H28O6 CHARGE: -1 FORMULA: C25H39O7 CHARGE: 0 FORMULA: C23H36O7 CHARGE: 0 FORMULA: C8H9NO3 CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C33H34FN2O6 CHARGE: 0 FORMULA: C33H33FN2O5 CHARGE: -1 FORMULA: C24H20ClFN3O7 CHARGE: 0 FORMULA: C18H13ClFN3O CHARGE: 0 FORMULA: C23H36O9 CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: -2 FORMULA: C25H36O8 CHARGE: 0 FORMULA: C23H36O7 CHARGE: 0 FORMULA: C24H36O6 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C25H39O7 CHARGE: -1 FORMULA: C24H35O6 CHARGE: 0 FORMULA: C24H34O5 CHARGE: 0 FORMULA: C24H25FNNaO5 CHARGE: -1 FORMULA: C30H32FNNaO11 CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -2 FORMULA: C21H27N3O10S CHARGE: 0 FORMULA: C23H35O9 CHARGE: 0 FORMULA: C8H9NO2 CHARGE: -1 FORMULA: C14H16NO8 CHARGE: 0 FORMULA: C18H24N4O8S SMILES: CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1 CHARGE: 0 FORMULA: C5H4N4O CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: -1 FORMULA: C61H106N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: -1 FORMULA: C62H108N11O14 CHARGE: 0 FORMULA: C62H109N11O13 CHARGE: 0 FORMULA: C61H109N11O14 CHARGE: 0 FORMULA: C62H111N11O14 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: -1 FORMULA: C68H118N11O19 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: 0 FORMULA: C61H109N11O13 CHARGE: 0 FORMULA: C61H109N11O12 CHARGE: 0 FORMULA: C62H111N11O13 CHARGE: -1 FORMULA: C33H34FN2O5 CHARGE: 0 FORMULA: C33H33FN2O4 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -2 FORMULA: C13H14O4 CHARGE: -2 FORMULA: C19H22O10 CHARGE: -2 FORMULA: C15H17N3O5S CHARGE: 0 FORMULA: C25H31FNNaO5 CHARGE: 0 FORMULA: C24H29FNNaO5 CHARGE: 0 FORMULA: C25H31FNNaO6 CHARGE: 0 FORMULA: C24H29FNNaO6 CHARGE: 0 FORMULA: C62H111N11O12 CHARGE: -1 FORMULA: C62H110N11O15S CHARGE: 0 FORMULA: C11H14N2O4S CHARGE: 0 FORMULA: C22H21FNNaO2 CHARGE: 0 FORMULA: C21H19FNNaO4 CHARGE: -1 FORMULA: C15H18N3O3S CHARGE: 0 FORMULA: C18H25O5 CHARGE: 0 FORMULA: C41H63NO14 CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C17H13FNNaO2 CHARGE: -1 FORMULA: C23H20FNNaO8 CHARGE: -1 FORMULA: C14H16NO9 CHARGE: -1 FORMULA: C15H20N3O3S CHARGE: -1 FORMULA: C15H18NO8S CHARGE: -1 FORMULA: C19H25O8 CHARGE: -1 FORMULA: C24H37O7 CHARGE: -2 FORMULA: C22H19ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -2 FORMULA: C28H27ClN6O8 CHARGE: -1 FORMULA: C22H22ClN6O2 CHARGE: -1 FORMULA: C28H30ClN6O7 CHARGE: 0 FORMULA: C24H36O5 CHARGE: 0 FORMULA: C18H13ClFN3 SMILES: Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 CHARGE: 0 FORMULA: C24H21ClFN3O6 CHARGE: -1 FORMULA: C13H15N2O5S CHARGE: -1 FORMULA: C15H20N3O4S CHARGE: -2 FORMULA: C42H48CaF2N6O12S2 CHARGE: 0 FORMULA: C16H12N2O6 CHARGE: 0 FORMULA: C5H4N4O2 CHARGE: 0 FORMULA: C10H12N4O7 CHARGE: 0 FORMULA: C10H12N4O7 CHARGE: 0 FORMULA: C18H16FNNaO2 CHARGE: 0 FORMULA: C50H46CaF2N2O8 CHARGE: 2 FORMULA: C50H44CaF2N2O6 CHARGE: 0 FORMULA: C50H42CaF2N2O8 CHARGE: 0 FORMULA: C23H36O7 SMILES: [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC CHARGE: -1 FORMULA: C29H43O13 CHARGE: 0 FORMULA: C44H54CaF2N6O12S2 CHARGE: 2 FORMULA: C44H52CaF2N6O10S2 CHARGE: -1 FORMULA: C8H8NO6S CHARGE: 0 FORMULA: C25H38O5 CHARGE: -1 FORMULA: C25H39O6 CHARGE: -1 FORMULA: C9H10NO5S2 CHARGE: -1 FORMULA: C8H8NO5S CHARGE: 0 FORMULA: C44H69NO12 CHARGE: -1 FORMULA: C15H22NO4S CHARGE: 0 FORMULA: C24H25FNNaO4 CHARGE: 0 FORMULA: C24H23FNNaO3 CHARGE: -1 FORMULA: C16H19N4O3S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -1 FORMULA: C16H19N4O4S CHARGE: -2 FORMULA: C16H16N4O5S CHARGE: 0 FORMULA: C23H38O9 CHARGE: -1 FORMULA: C15H18NO9S CHARGE: -1 FORMULA: C9H10NO6S2 CHARGE: -1 FORMULA: C24H37O6 CHARGE: 0 FORMULA: C50H46CaF2N2O10 CHARGE: -1 FORMULA: C6H7O6 SMILES: [H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO CHARGE: -1 FORMULA: C6H5O6 SMILES: OCC(O)[C-]1OC(=O)C(=O)C1=O CHARGE: -1 FORMULA: . SMILES: [*-] CHARGE: 0 FORMULA: X CHARGE: 0 FORMULA: XH2 CHARGE: 1 FORMULA: H SMILES: [1H+] CHARGE: -1 FORMULA: C6H11O2 SMILES: CCCCCC([O-])=O CHARGE: -1 FORMULA: C6H11O2 SMILES: CCCCCC([O-])=O CHARGE: -1 FORMULA: C6H11O2 SMILES: CCCCCC([O-])=O CHARGE: 0 FORMULA: C13H25NO4 SMILES: C(OC(CCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] CHARGE: 0 FORMULA: C17H33NO4 SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O CHARGE: 0 FORMULA: C19H37NO4 SMILES: CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -1 FORMULA: C18H35O2 SMILES: CCCCCCCCCCCCCCCCCC([O-])=O CHARGE: -4 FORMULA: C31H48N7O17P3S CHARGE: -4 FORMULA: C31H48N7O17P3S SMILES: CCCCC\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H48N7O17P3S SMILES: CCCCC\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C31H46N7O17P3S CHARGE: -4 FORMULA: C35H58N7O17P3S CHARGE: -4 FORMULA: C32H52N7O17P3S SMILES: CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C33H52N7O17P3S CHARGE: -4 FORMULA: C33H50N7O17P3S CHARGE: -4 FORMULA: C33H50N7O17P3S CHARGE: -4 FORMULA: C33H50N7O17P3S CHARGE: -4 FORMULA: C33H48N7O17P3S CHARGE: -4 FORMULA: C33H48N7O17P3S CHARGE: -4 FORMULA: C37H62N7O17P3S CHARGE: -4 FORMULA: C34H56N7O17P3S SMILES: CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H56N7O17P3S SMILES: CCCCCCCC\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C35H56N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C35H54N7O17P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C35H52N7O17P3S CHARGE: -4 FORMULA: C37H60N7O17P3S CHARGE: -4 FORMULA: C37H60N7O17P3S CHARGE: -4 FORMULA: C37H60N7O17P3S SMILES: CCCCCCCC\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H58N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H56N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C37H54N7O17P3S CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H58N7O17P3S CHARGE: -4 FORMULA: C39H56N7O17P3S CHARGE: -4 FORMULA: C39H56N7O17P3S CHARGE: -4 FORMULA: C41H68N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C43H72N7O17P3S SMILES: CCCCCCCC\C=C/CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C26H40N7O17P3S SMILES: CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C27H40N7O17P3S SMILES: CC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C28H44N7O17P3S SMILES: CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C29H44N7O17P3S SMILES: CCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C29H44N7O17P3S SMILES: CCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C30H48N7O17P3S SMILES: CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CHARGE: -4 FORMULA: C48H74N7O20P3S SMILES: [H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:549 or HGNC:550 or HGNC:80 NOTES: SAB SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2602 NOTES: based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.196 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2602 NOTES: based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.196 IT; RE2240M SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2606 NOTES: based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.196 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2606 NOTES: based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.196 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10691 NOTES: SAB see PMID 500639: this reaction is spontaneous SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11455 NOTES: -this is a lumped rxn w/ an inferred reduction rxn that occurs in conjunction w/ sulfotransferase step; this reduction step has to occur in order for the transformation (2amac-->Lcyst) to be valid -used NADPH as electron donor since it is a common cofactor involved in biosynthetic steps utilizing oxygen (see Neema for further explanations) MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21481 or HGNC:28335 or HGNC:30866 or (HGNC:6535 and HGNC:6541) or HGNC:6535 or HGNC:6541 or HGNC:6544 NOTES: NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:21350 and HGNC:2898 and HGNC:2911 and HGNC:8124 NOTES: SAB SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16354 or (HGNC:249 and HGNC:250) or (HGNC:249 and HGNC:251) or (HGNC:250 and HGNC:251) or HGNC:252 or HGNC:253 or HGNC:255 or HGNC:256 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:2228 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:405 or HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT reaction involved in formation of 4-hydroxybenzoate from tyrosine. SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5147 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Used to make Ubiquinone-10 enzyme has not been identified yet. IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Used to make Ubiquinone-10 enzyme has not been identified yet. IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4021 SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4796 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:23408 NOTES: NCD. rat gene that is homologous to the human gene encodes for this activity SUBSYSTEM: Butanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1564 or HGNC:17929 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4908 NOTES: SAB SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB made up name SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: MKA AMF IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18966 or HGNC:4092 or HGNC:4093 NOTES: SAB SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: as described in Bender (Nutritional biochmeistry of the vitamins, 2nd edition) MM SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4432 NOTES: MM. activity measured in rat, 3-sulfinoalanine is substrate found in human brain SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4433 NOTES: MM. activity measured in rat, 3-sulfinoalanine is substrate found in human brain SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:549 or HGNC:550 or HGNC:6833 or HGNC:6834 or HGNC:80 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT reaction involved in formation of 4-hydroxybenzoate from tyrosine. SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT reaction involved in formation of 4-hydroxybenzoate from tyrosine. SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:406 NOTES: NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11453 or HGNC:11454 or HGNC:11455 NOTES: RS/TV (6/14/05) SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11455 or HGNC:11458 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:553 NOTES: SAB questionable--balanced, but h2o2 production is based on an obscure comment in entrez SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6059 NOTES: SAB. The E.C. number 1.13.11.42 has been deleted in 2006. Instead, replaced with E.C. 1.13.11.11 - tryptophan 2,3-dioxygenase. However, E.C. 1.13.11.11 is for the reaction L-tryptophan + O2 = N-formyl-L-kynurenine. For the reaction 5-Hydroxy-L-tryptophan (Cytosol) + O2 (Cytosol) <=> 5-Hydroxy-N-formylkynurenine, E.C. should be 1.13.11.52. Conclusion: Change E.C. to 1.13.11.52 (source: KEGG). SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6827 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6826 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18149 NOTES: EC: 2.4.1.228 NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18149 NOTES: EC: 2.4.1.228 NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17968 NOTES: EC 2.4.1.- NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17968 NOTES: EC 2.4.1.- NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21298 NOTES: also EC 2.8.3.8 NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:550 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM. Found under reaction synonym name: 2-aminoadipic 6-semialdehyde dehydrogenase; Evidence was from mouse with identification of good human ortholog for U26 in the mouse that catalyzes this reaction. There was NOT evidence here specific to mitochondria, though. (Nathan Price) SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17929 NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:79 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23 NOTES: kh 1/6/03 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:412 NOTES: JLR SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4803 or HGNC:83 or HGNC:93 NOTES: MM. 2-Methyl-3-acetoacetyl-CoA excreted into urine for patients with disease deficiency SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:94 NOTES: JLR- reversible form of ACACT1 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803) or HGNC:93 NOTES: TDV SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:94 NOTES: NCD NJ - added peroxisomal version SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:82 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:82 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:82 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:82 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:82 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:82 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:84 or HGNC:84 or HGNC:84 and HGNC:85 or HGNC:84 and HGNC:85 or HGNC:84 or HGNC:85 and HGNC:84 or HGNC:84 and HGNC:85 or HGNC:84 or HGNC:84 and HGNC:85 or HGNC:84 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:85 NOTES: TDV (9/14/2004) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15814 NOTES: JLR- also acts on propanoate SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:16091 or HGNC:24723 NOTES: TDV-mitochondrial version JLR- also acts on propanoate AMF- made reaction to create AMP not ADP and changed EC SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9959 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:19980 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17174 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8907 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8966 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17996 NOTES: NCD SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:108 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:115 NOTES: ATP dependent citrate lyase. Reaction is reversible in KEGG (new EC 2.3.3.8) NCD SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19237 NOTES: EC-2.5.1.56 NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19237 NOTES: EC-2.5.1.56 NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:124 or HGNC:16140 or HGNC:29609 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:91 NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21497 or HGNC:21597 or HGNC:30211 or HGNC:87 or HGNC:89 or HGNC:90 or HGNC:91 NOTES: Assume NAD/NADH as acceptors Lumped long-chain acyl-CoA dehydrogenase (EC 1.3.99.13) This reaction is therefore equilivalent to trans-2-enoyl-CoA reductase (NAD) (EC 1.3.1.44) SUBSYSTEM: Butanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6186 NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:87 or HGNC:89 NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24436 NOTES: NCD. measured in rat brain; 78.7 % identical enzyme cloned from human liver cDNA SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3594 NOTES: tv rxn is now charge balanced; removed h - NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:177 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:117 or HGNC:6115 NOTES: SMP. Biochemical SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:117 or HGNC:118 NOTES: IF. Biochemical SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:120 NOTES: noted in uniprot to have FAD as cofactor - further reaction specific lit evidence not found to support or contradict, see Baumgart et al PNAS (1996) 93: 13748-13753 analog as per KEGG added NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:120 NOTES: noted in uniprot to have FAD as cofactor - further reaction specific lit evidence not found to support or contradict, see Baumgart et al PNAS (1996) 93: 13748-13753 NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:122 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: INVALID ECO TERM: IFH SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15814 or HGNC:21298 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15814 or HGNC:21298 NOTES: AMF SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:16091 NOTES: IF SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:750 NOTES: SAB. Genetic and Biochemical SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:750 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2631 NOTES: stoichiometry described in Thornalley PJ. Gen Pharmacol. 1996 Jun;27(4):565-73. PMID: 8853285 NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2631 NOTES: stoichiometry described in Thornalley PJ. Gen Pharmacol. 1996 Jun;27(4):565-73. PMID: 8853285 NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:179 or HGNC:180 or HGNC:21385 NOTES: Reaction from KEGG: an acylphosphate + H2O -> a carboxylate + phosphate SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:186 NOTES: Added EC- JLR SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:186 NOTES: adenosine deaminase has been found on cell surface in human (Gonzales-Gronow et al, JBC, 2004,279,20993-20998). IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV (Voet & Voet pg 581) Non-enzymatic decarboxylation; spontaneous reaction added "m" suffix - NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20091 or HGNC:361 or HGNC:362 or HGNC:365 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:362 or HGNC:363 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:365 NOTES: JLR SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17376 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:365 NOTES: Inorganic triphosphate can also act as donor This form was added for Staph based on KEGG evidence (SAB) SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:457 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21285 or HGNC:232 or HGNC:233 or HGNC:234 or HGNC:235 or HGNC:236 or HGNC:237 or HGNC:238 or HGNC:239 or HGNC:240 NOTES: JLR SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:257 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8052 NOTES: Based on Yang et al, JBC, 2000, 275, 8844-8853 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8052 NOTES: Based on Yang et al, JBC, 2000, 275, 8844-8853 IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8052 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8056 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:626 SUBSYSTEM: Nucleotide salvage pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:8603 or HGNC:8604 NOTES: SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8603 or HGNC:8604 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:291 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:291 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20093 or HGNC:292 NOTES: r0277 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:15629 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:24139 or HGNC:13528 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:15629 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:24139 or HGNC:15629 or HGNC:13528 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15629 or HGNC:15685 or HGNC:15629 or HGNC:24139 or HGNC:18811 or HGNC:24139 or HGNC:21727 or HGNC:15683 or HGNC:13528 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15629 or HGNC:15685 or HGNC:15629 or HGNC:24139 or HGNC:18811 or HGNC:24139 or HGNC:21727 or HGNC:15683 or HGNC:13528 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15685 or HGNC:15629 or HGNC:18811 or HGNC:24139 or HGNC:24139 or HGNC:21727 or HGNC:13528 or HGNC:15629 or HGNC:15683 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 or HGNC:15685 or HGNC:24139 or HGNC:15629 or HGNC:15683 or HGNC:24139 or HGNC:15629 or HGNC:18811 or HGNC:21727 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15685 or HGNC:15629 or HGNC:18811 or HGNC:13528 or HGNC:24139 or HGNC:21727 or HGNC:24139 or HGNC:15629 or HGNC:15683 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15683 or HGNC:24139 or HGNC:15685 or HGNC:21727 or HGNC:24139 or HGNC:18811 or HGNC:13528 or HGNC:15629 or HGNC:15629 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21727 or HGNC:15683 or HGNC:13528 or HGNC:24139 or HGNC:15629 or HGNC:24139 or HGNC:15629 or HGNC:15685 or HGNC:18811 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:24262 NOTES: acetylglucosamine phosphate deacetylase; acetylaminodeoxyglucosephosphate acetylhydrolase; 2-acetamido-2-deoxy-D-glucose-6-phosphate amidohydrolase SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: see Harper's Biochemistry 'Metabolism of Acylglycerols and Sphingolipids' chapter currently charge imbalanced (+2) - charging of individual molecules consistent w/ known info at pH 7.4 NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: takes place on outer peroxisomal membrane NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18407 NOTES: SAB m SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20880 or HGNC:20885 or HGNC:20886 or HGNC:25193 or HGNC:324 or HGNC:325 or HGNC:326 NOTES: FULLR corresponds to acyl/R groups in texts. NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:9722 NOTES: NCD SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14404 or HGNC:14412 NOTES: NCD SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:341 NOTES: NCD SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:343 or HGNC:344 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:794 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:21350 and HGNC:2898 and HGNC:2911 and HGNC:8124 NOTES: EC taken from Ligand TV. Genetic SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:384 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:387 NOTES: NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:387 NOTES: NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:388 NOTES: refs: uniprot, KEGG DW Russell bile acid synthesis review paper (see human recon journal citations) NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:388 NOTES: refs: uniprot, KEGG DW Russell bile acid synthesis review paper (see human recon journal citations) NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:396 or HGNC:397 or HGNC:4188 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18062 or HGNC:4552 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16354 or (HGNC:249 and HGNC:250) or (HGNC:249 and HGNC:251) or HGNC:249 or (HGNC:250 and HGNC:251) or HGNC:250 or HGNC:251 or HGNC:252 or HGNC:253 or HGNC:255 or HGNC:256 or HGNC:28697 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:16354 or (HGNC:249 and HGNC:250) or (HGNC:249 and HGNC:251) or HGNC:249 or (HGNC:250 and HGNC:251) or HGNC:250 or HGNC:251 or HGNC:252 or HGNC:253 or HGNC:255 or HGNC:256 or HGNC:28697 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:16354 or (HGNC:249 and HGNC:250) or (HGNC:249 and HGNC:251) or HGNC:249 or (HGNC:250 and HGNC:251) or HGNC:250 or HGNC:251 or HGNC:252 or HGNC:253 or HGNC:255 or HGNC:256 or HGNC:28697 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16354 or (HGNC:249 and HGNC:250) or (HGNC:249 and HGNC:251) or HGNC:249 or (HGNC:250 and HGNC:251) or HGNC:250 or HGNC:251 or HGNC:252 or HGNC:253 or HGNC:255 or HGNC:256 or HGNC:28697 NOTES: NCD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:380 NOTES: NCD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:412 or HGNC:877 NOTES: NCD. The formation rate of IAA from IAL was used to measure ALDH activity (9884322). Another ref. 2437936 for human blood aldehyde dehydrogenase SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: NCD. Presence of cytoplasmic and mitochondrial isozymes of human aldehyde dehydrogenase (E.C. 1.2.1.3). Genetic ref. 8621661 for Delta-1-pyrroline-5-carboxylate dehydrogenase SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:403 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:405 or HGNC:407 or HGNC:409 or HGNC:410 or HGNC:411 or HGNC:412 or HGNC:877 NOTES: Only acetaldehyde considered for now. See also 1.2.1.4. Wide specificity, including oxidation of D-glucuronolactone to D-glucarate. Formerly EC 1.1.1.70; r0176 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:404 or HGNC:407 NOTES: NCD. For NAD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15472 or HGNC:403 or HGNC:405 or HGNC:407 or HGNC:410 or HGNC:411 or HGNC:412 NOTES: See also ALDH1 (1.2.1.3); r0177 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:437 or HGNC:438 or HGNC:439 or HGNC:441 NOTES: added for staph (SAB) SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:429 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:430 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:433 or HGNC:434 NOTES: Converts arachidonic acid to 15S-hydroperoxyeicosatetraenoic acid. Also acts on C-12 of arachidonate as well as on linoleic acid. NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:435 NOTES: cofactors + usage still not clear see version ALOX5b for ATP concomittant hydrolysis - literature notes in vitro requirement for Ca and ATP for activity in addition to Fe SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:435 NOTES: cofactors + usage still not clear unknown mechanism - biochemistry supported by PMID: 2829172, 11160764 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:380 or HGNC:381 or HGNC:389 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:380 or HGNC:381 or HGNC:389 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:451 NOTES: should be analogous to AMACRp as per KEGG - in this case: reductase not a racemase NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:451 NOTES: should be analogous to AMACRr as per KEGG - in this case: reductase not a racemase NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:451 NOTES: see Russell bile acid biosynthesis review uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:451 NOTES: see Russell bile acid biosynthesis review uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17174 or HGNC:23657 NOTES: JLR - Kegg R02705 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: not sure about name NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:468 or HGNC:469 or HGNC:470 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:500 NOTES: SAB. activity measured in cytosol rat liver; IT IS leucine aminopeptidase (EC3.4.11.1) NOT alanyl aminopeptidase EC3.4.11.2 which shows > 80% of the activity; sequence homology rat-human not yet verified; annotation 'extracellular' under B column ERROR SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:500 NOTES: SAB. rat lumen renal proximal tubule preparation cysteinylglycine metabolism measured due to aminopeptidase M (=N); the annotation in BiGG of strong biochemical evidence in a textbook could not be found in the Google Books version search of this book; intensively sought for human metabolism; human metabolism is likely though not proven directly SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:478 or HGNC:476 or HGNC:474 or HGNC:475 or HGNC:474 or HGNC:477 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:478 or HGNC:476 or HGNC:474 or HGNC:475 or HGNC:474 or HGNC:477 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Spontaneous reaction SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8049 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:23 NOTES: SAB SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT faked reaction to balance reaction in human biotin metabolism SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT faked reaction to balance reaction in human biotin metabolism SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:380 or HGNC:381 or HGNC:389 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29957 NOTES: SAB m SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:663 or HGNC:664 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:664 NOTES: SAB m SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:746 SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:758 SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:713 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: HR fatty acid metabolism - R groups = acyl groups, Rtotal, Rtotal2, Rtotal3 correspond to three possible acyl groups added to glycerol Carbon stoichiometry normalized wrt C16 R1 - C16 groups R2 - essential FA + associated derivatives R3 - non-essential, dietary FA (C18) R4 - monounsaturated FA R5 -other (C26, C24) NJ SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: cytosolic conversion of pooled FA into palmitate (so subsequent transport into mit w/ FA oxidation can occur). Since Carbon stoichiometry normalized wrt C16 ratio between Rgroupcoa and pmtcoa is 1:1 HR fatty acid metabolism - R groups = acyl groups, Rtotal, Rtotal2, Rtotal3 correspond to three possible acyl groups added to glycerol R1 - C16 groups R2 - essential FA + associated derivatives R3 - non-essential, dietary FA (C18) R4 - monounsaturated FA R5 -other (C26, C24) NJ SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: cytosolic conversion of pooled FA into palmitate (so subsequent transport into mit w/ FA oxidation can occur). Since Carbon stoichiometry normalized wrt C16 ratio between Rgroupcoa and pmtcoa is 1:1 HR fatty acid metabolism - R groups = acyl groups, Rtotal, Rtotal2, Rtotal3 correspond to three possible acyl groups added to glycerol R1 - C16 groups R2 - essential FA + associated derivatives R3 - non-essential, dietary FA (C18) R4 - monounsaturated FA R5 -other (C26, C24) NJ SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:735 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:16448 NOTES: PMID: 11984834 (denotes it as potentially mitochondrial) mm SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:753 SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:4092 NOTES: The E. coli enzyme contains a pyruvoyl group. SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1424 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4432 SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4433 NOTES: NCD SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3363 or HGNC:3364 or HGNC:3365 or HGNC:3367 or HGNC:3368 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3364 or HGNC:3365 or HGNC:3367 or HGNC:3368 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6831 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:918 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:919 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:919 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:919 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:919 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:920 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: general reaction - no gene association get NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15629 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15629 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13528 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:15684 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:932 NOTES: glycine or taurine as substrates, produces glycocholic or taurocholic acids respectively NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:932 NOTES: glycine or taurine as substrates, produces glycocholic or taurocholic acids respectively NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:932 NOTES: fourth version analog added in similarity to BAAT1x, BAAT2x NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4976 NOTES: IT SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4976 NOTES: IT SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:412 or HGNC:877 NOTES: SAB SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: SAB SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:964 NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13815 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Stilbene, coumarine and lignin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1027 NOTES: IT SUBSYSTEM: Butanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1047 or HGNC:1048 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1062 or HGNC:1063 NOTES: TDV SUBSYSTEM: Heme degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1096 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1096 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1122 NOTES: IT SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1122 NOTES: IT SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1122 NOTES: Also acts on biotin esters IT SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1122 NOTES: Also acts on biotin esters IT SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4976 NOTES: IT for human biotin metabolism SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4976 NOTES: IT for human biotin metabolism SUBSYSTEM: Biotin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16297 NOTES: MM SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11863 NOTES: NCD ER version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: TV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: TV (see C160CRN) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: TV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2329 or HGNC:2328 or HGNC:2329 or HGNC:2329 or HGNC:2329 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: TDV C20:4 transport SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803) or HGNC:890 NOTES: SAB SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:3149 or HGNC:3247 NOTES: SAB SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13398 NOTES: NCD ER version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13398 NOTES: NCD ER version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5213 NOTES: NCD ER - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10545 NOTES: EC 1.-.-.- NCD ER version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13398 NOTES: double check rxn specifics - see lit ref: Marijanovic, Molecular Endocrinology 2003 17:1715-1725 ER version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10545 or HGNC:13398 NOTES: double check rxn specifics - see lit ref: Marijanovic, Molecular Endocrinology 2003 17:1715-1725 ER version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1516 NOTES: NCD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1516 NOTES: TV SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1516 NOTES: NCD SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin B12 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18871 NOTES: JLR (EC 2.5.1.17) IT SUBSYSTEM: Vitamin B12 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:24861 or HGNC:28906 or HGNC:4056 NOTES: See PMID: 11946414 NCD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1424 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2323 NOTES: MM SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1548 NOTES: multiple EC EC 1.1.1.189 EC 1.1.1.197 NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1548 NOTES: multiple EC EC 1.1.1.189 EC 1.1.1.197 NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1769 NOTES: NJ - reversibility of enzyme found in lit by NCD SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1800 or HGNC:1801 NOTES: ER membrane - but on cytosolic surface NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1800 or HGNC:1801 NOTES: inner mitochondrial membrane NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17852 or HGNC:24289 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24289 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19256 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1907 NOTES: NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1912 NOTES: rev by uniprot NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1912 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16815 NOTES: no high energy phosphate compounds found associated w/ rxn NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8754 or HGNC:8755 NOTES: NCD SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24288 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1937 or HGNC:1938 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11455 or HGNC:11459 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17432 or HGNC:1936 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17432 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: also EC 4.1.3.22 NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1995 or HGNC:1996 or HGNC:31736 NOTES: kegg C02305 MJC SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:1991 and HGNC:1994) or HGNC:1991 or HGNC:1994 NOTES: kegg C02305 MJC SAB c SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16148 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18290 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18290 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1864 NOTES: SAB SUBSYSTEM: Alkaloid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18175 NOTES: _2.1.1.114 IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: _2.1.1.- IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20233 NOTES: _1.13.12.- IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2244 NOTES: _1.14.13.- IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17973 or HGNC:4203 or HGNC:4205 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24141 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4205 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4203 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT reaction involved in formation of 4-hydroxybenzoate from tyrosine. (EC 6.2.1.12) . SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8754 or HGNC:8755 NOTES: SAB SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2321 NOTES: r0608, JLR SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Note that this reaction occurs in the endosome during endocytosis, but has been compartmentalized as lysosomal. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Note that this reaction occurs in the endosome during endocytosis, but has been compartmentalized as lysosomal. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Note that this reaction occurs in the endosome during endocytosis, but has been compartmentalized as lysosomal. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Note that this reaction occurs in the endosome during endocytosis, but has been compartmentalized as lysosomal. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Note that this reaction occurs in the endosome during endocytosis, but has been compartmentalized as lysosomal. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2422 NOTES: IF old EC number (4.1.3.7) is obsolete -- transferred to 2.3.3.1 NCD. Biochemical SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2342 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2342 or HGNC:2366 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2342 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2342 NOTES: mm SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2342 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2342 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2342 NOTES: IF SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR. Part of a famous suicide gene combination with 5-fluorocytosine SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2519 or HGNC:2520 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2519 or HGNC:2520 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: reaction according to KEGG MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: according to reaction in KEGG MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1795 NOTES: IT SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4432 NOTES: MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4433 NOTES: MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2501 NOTES: NCD SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1550 NOTES: NCD SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1712 or HGNC:13203 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:12562 or HGNC:14859 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13203 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:27015 NOTES: No evidence in the mitochondrion SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:365 or HGNC:365 or HGNC:18170 or HGNC:27015 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:365 or HGNC:365 or HGNC:18170 or HGNC:27015 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14412 NOTES: MM SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:186 NOTES: JLR SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:186 NOTES: adenosine deaminase has been found on cell surface in human (Gonzales-Gronow et al, JBC, 2004,279,20993-20998). IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Deoxyguanosine can also act as acceptor. Possibly identical with EC 2.7.1.74 deoxycytidine kinase. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2849 or HGNC:2850 or HGNC:2851 or HGNC:2852 or HGNC:2853 or HGNC:2854 or HGNC:2855 or HGNC:2856 or HGNC:2857 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2855 or HGNC:2857 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2671 NOTES: SAB SUBSYSTEM: D-alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2671 NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16065 or HGNC:4330 or HGNC:13312 SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2727 NOTES: MM SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14601 or HGNC:2703 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT (2.7.1.74) SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2704 NOTES: IT (2.7.1.74) SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2704 NOTES: IT (2.7.1.74) SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2710 NOTES: NCD SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2709 NOTES: ISOMERASE SAB added EC and adjusted compounds for balance SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1712 or HGNC:13203 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13203 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT rxn is done by 4.1.2.14 and 4.1.3.16 mitochondrial isozyme - NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10571 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3575 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10571 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10571 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10571 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3575 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3575 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3575 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3574 or HGNC:3575 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3574 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3574 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3575 NOTES: for homo sapiens, noted to actually be NADH-cyt b5, using NADH at present NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16940 or HGNC:2843 NOTES: FULLR corresponds to acyl/R groups in texts. NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4693 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Added EC- JLR IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2858 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4416 NOTES: NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4416 NOTES: NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2859 NOTES: lanosterol -> cholesterol pathway FAD known to be cofactor, other details missing NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2651 or HGNC:2859 NOTES: lanosterol -> cholesterol pathway FAD known to be cofactor, other details missing NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2859 NOTES: lanosterol -> cholesterol pathway FAD known to be cofactor, other details missing NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2860 NOTES: lanosterol -> cholesterol pathway see paper refs Moebius et al PNAS 95:1899-1902 - check/re-check lit for more specific details (NADPH known to be cofactor - also NADH?, possibly rev?) NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2860 NOTES: lanosterol -> cholesterol pathway see paper refs Moebius et al PNAS 95:1899-1902 - check/re-check lit for more specific details (NADPH known to be cofactor - also NADH?, possibly rev?) NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13709 or HGNC:13709 or HGNC:20113 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13709 or HGNC:13709 or HGNC:20113 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18175 NOTES: Used to make Ubiquinone-10 EC 2.1.1.114 IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11377 or HGNC:11455 or HGNC:11458 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2861 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1424 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3013 or HGNC:3014 or HGNC:3015 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3013 NOTES: Also acts on dihydrothymine and hydantoin. Found not specific evidence in PubMed, but Dihydropyrimidinase is supposed to be in cytosol and catalyze this reaction. Old information SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9752 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR- based on B. subtilis and K. pneumoniae reactions (not sure about the h2o and h) SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4249 NOTES: Human Y/N: Y SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3631 NOTES: peroxisomal version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24475 NOTES: MM SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: made reversible since Keq ~ 0.6. dmhptcoa is a special case because its biochemical fate has not be elucidated. NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: made reversible since Keq ~ 0.6. dmhptcoa is a special case because its biochemical fate has not be elucidated. NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2976 or HGNC:2977 or HGNC:2978 or HGNC:2979 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:2976 or HGNC:2977 or HGNC:2978 or HGNC:2979 NOTES: SAB copied from DNAMTn SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: EC-4.1.1.- NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: EC-4.1.1.- NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23157 NOTES: EC 2.4.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23161 NOTES: EC 2.4.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23162 NOTES: EC 2.4.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21063 or HGNC:2689 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12442 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2228 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11453 or HGNC:11454 or HGNC:11455 NOTES: RS/TV (6/14/2005) SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2671 NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29932 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1093 or HGNC:8888 or HGNC:8889 NOTES: added EC num; also EC 5.4.2.4 -- NCD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1093 or HGNC:8888 or HGNC:8889 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: enzyme has not been identified yet IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7529 NOTES: peroxisomal version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: by analogy to other dimethyl transferase rxns. See PMID: 10586494, human interemidate (from C15 ->C50) not explicitly determined yet, however it is known to occur since this pathway is essential in Q10 synthesis. For human metabolism: may be associated w/ GeneID: 23590 TPRT - recheck lit in future IT and NJ SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2671 NOTES: MM. rat brain activity, presumed to be in mammalians SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:30325 NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:24269 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: CoA transfer not explicitly in rxn (accounted for in Rtotal rxn -> ARTF) NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3061 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3012 NOTES: _01-26-05 IT based on Lu et al., JBC,1992,24,17102-17109 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3012 NOTES: _01-26-05 IT based on Lu et al., JBC,1992,24,17102-17109 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11830 or HGNC:11831 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11831 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23061 or HGNC:7892 NOTES: JLR SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3078 or HGNC:6176 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3078 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3133 NOTES: involved in lanosterol -> cholesterol pathway NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3133 NOTES: involved in lanosterol -> cholesterol pathway NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB reaction name uncertain SUBSYSTEM: Alkaloid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3151 or (HGNC:4801 and HGNC:4803) NOTES: MM. based on assigned short chain enoyl-CoA hydratase activity SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3151 or (HGNC:4801 and HGNC:4803) or HGNC:890 NOTES: SAB for mito SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3149 or HGNC:3247 NOTES: SAB for x SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3151 or (HGNC:4801 and HGNC:4803) NOTES: MM. based on assigned short chain enoyl-CoA hydratase activity SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17 NOTES: SAB EC 3.1.1.- SUBSYSTEM: Alkaloid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:4432 NOTES: NCD. measured in rat liver and activity is presumed to be in mammalians; substrate erythro-4-hydroxyglutamate is found in humans SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4433 NOTES: NCD SAB oaa -> asp-L SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:4433 NOTES: NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24622 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24622 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3350 or HGNC:3354 or HGNC:3354 or HGNC:3353 NOTES: SMP SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8756 NOTES: SAB SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11377 or HGNC:11453 or HGNC:11455 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3481 and HGNC:3482 NOTES: TV (5/4/05) Voet p.571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3483 NOTES: TV Ruzicka F, JBC, 1977 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1937 or HGNC:24649 or HGNC:1937 or HGNC:25575 or HGNC:1938 or HGNC:1938 NOTES: NCD SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16815 NOTES: no high energy phosphate compounds found associated w/ rxn NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2631 NOTES: NCD. 10620320 - expression, fluorescence; 17084997 - biochemical SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19661 or HGNC:3825 NOTES: NCD SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4019 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD rxn is now charge balanced - NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD rxn is now charge balanced - NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 or HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25625 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3570 NOTES: JLR SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3571 or HGNC:3569 or HGNC:3570 or HGNC:3570 or HGNC:16496 or HGNC:16496 NOTES: AR SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3571 or HGNC:3569 or HGNC:3570 or HGNC:3570 or HGNC:16496 or HGNC:16496 NOTES: TV catalyzed by acyl-CoA synthetases SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24174 or HGNC:3569 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3571 or HGNC:3569 or HGNC:3570 or HGNC:3570 or HGNC:16496 or HGNC:16496 NOTES: AR SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3571 or HGNC:3569 or HGNC:3570 or HGNC:3570 or HGNC:16496 or HGNC:16496 NOTES: TV catalyzed by acyl-CoA synthetases SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: TV catalyzed by acyl-CoA synthetases SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: NJ, RE1514C SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ, RE3114C SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 NOTES: current models suggest COAL activity occurs on outer peroxisomal membrane NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3570 or HGNC:3570 or HGNC:3569 or HGNC:3571 or HGNC:3571 or HGNC:16496 or HGNC:16496 NOTES: rev version so additional rxn doesn't need to be added to "unload" AA NJ. Merged GPR from FACOAL204 and FACOAL204i - (May 2011) IT SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: rev version so additional rxn doesn't need to be added to "unload" AA alternate to arachidonic acid (n-3 rather than n-6) NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 or HGNC:16496 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 or HGNC:16496 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 or HGNC:16496 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3569 NOTES: cytoplasmic version -NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18049 NOTES: JLR changed EC from 6.2.1.3 (long chain fatty-acyl CoA ligase) to 6.2.1.2 (butyrate-CoA ligase) - NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3570 NOTES: JLR Also 6.2.1.3 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3356 or HGNC:3358 SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 NOTES: fatty acid elongation step NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 NOTES: fatty acid elongation step NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 NOTES: fatty acid elongation step NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 NOTES: fatty acid elongation step NJ SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:23198 and HGNC:9208) or (HGNC:2642 and HGNC:9208) or (HGNC:2644 and HGNC:9208) NOTES: fatty acid hydroxylation NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2642 NOTES: fatty acid omega hydroxylation NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2642 NOTES: fatty acid omega hydroxylation NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:253 NOTES: NCD SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:88 NOTES: TV Other enzymes: 1.3.3.6, 4.2.1.74, 4.2.1.17, 1.1.1.35, 1.1.1.211 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:90 NOTES: _5 rounds of beta ox, 1 loss of degree of unsat -> 4 fad oxidized c18:1 -> c8:0 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:90 NOTES: c18:2,n-6 -> c8:0 - 5 rounds of beta ox, lose 2 degrees of unsat - only 3 fad oxidized 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:90 NOTES: _5 rounds of beta ox, 3 degrees loss of saturation -> only 2 fad oxidized to fadh2 - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c18:3,n-6 -> c8:0, 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:119 and HGNC:3247 and HGNC:82) or (HGNC:119 and HGNC:5213 and HGNC:82) NOTES: _5 rounds of beta ox, 3 degrees loss of saturation -> only 2 fad oxidized to fadh2 - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c18:3,n-6 -> c8:0, 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:92) NOTES: c20:0 -> c18:0 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: peroxisomal (very long chain FA) - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) c20:0 -> c18:0 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:92) NOTES: c20:3 -> c18:3 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:90 NOTES: _1 round beta ox, 1 degree loss of sat -> no fad oxidation peroxisomal (very long chain FA) c20:5,n-3 -> c18:4, n-3 - final '3' in abbreviation indicates omega3 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:119 and HGNC:3247 and HGNC:82) or (HGNC:119 and HGNC:5213 and HGNC:82) NOTES: _1 round beta ox, 1 degree loss of sat -> no fad oxidation - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c20:5,n-3 -> c18:4, n-3 - final '3' in abbreviation indicates omega3 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:92) NOTES: _1 round beta ox peroxisomal (very long chain FA) c22:4,n-6 -> c20:4, n-6 - final '6' in abbreviation indicates omega6 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: _1 round beta ox - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c22:4,n-6 -> c20:4, n-6 - final '6' in abbreviation indicates omega6 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:90 NOTES: _2 rounds of beta-ox, plus a loss of 2 degrees of desatuartion, so no fad is oxidized peroxisomal (very long chain FA) c22:5,n-6 -> c18:3, n-6 - final '6' in abbreviation indicates omega6 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:119 and HGNC:3247 and HGNC:82) or (HGNC:119 and HGNC:5213 and HGNC:82) NOTES: _2 rounds of beta-ox, plus a loss of 2 degrees of desatuartion, so no fad is oxidized - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c22:5,n-6 -> c18:3, n-6 - final '6' in abbreviation indicates omega6 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 or HGNC:90 NOTES: _1 round beta ox - c22:5,n-3 -> c20:5, n-3 - final '3' in abbreviation indicates omega3 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:119 and HGNC:3247 and HGNC:82) or (HGNC:119 and HGNC:5213 and HGNC:82) NOTES: _1 round beta ox - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c22:5,n-3 -> c20:5, n-3 - final '3' in abbreviation indicates omega3 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14601 and HGNC:21497 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:14601 and HGNC:2753 and HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:21497 and HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:2753 and HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) NOTES: _1 round of beta-oxidation, loses degree of desat, so no fad peroxisomal (very long chain FA) c22:6,n-3 -> c20:5, n-3 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: _1 round of beta-oxidation, loses degree of desat, so no fad - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c22:6,n-3 -> c20:5, n-3 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: _1 round beta ox - - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) peroxisomal (very long chain FA) c24:4,n-6 -> c22:4, n-6 - final '6' in abbreviation indicates omega6 FA 4 step FAO lumped for 2 rounds also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) confusing name, sorry - accounting for omega3 vs omega6 FA peroxisomal (very long chain FA) c24:5,n-3 -> c22:5, n-3 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: peroxisomal (very long chain FA) - - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) c24:5,n-6 -> c22:5, n-6 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: peroxisomal (very long chain FA) - - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) c24:6 -> c22:6 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) NOTES: peroxisomal (very long chain FA) - in peroxisome, no fad, 1ste set of beta-ox is by acyl-coa oxidase (passes electrons directly to o2 -> h2o2) c26:0 -> c24:0 4 step FAO lumped also includes EC 1.1.1.35, 1.1.1.211, 1.3.3.6, 4.2.1.17, 4.2.1.74 -> into pmtcoa NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14416 and HGNC:15829 and HGNC:21308 and HGNC:3594) or HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14416 and HGNC:15829 and HGNC:21308 and HGNC:3594) or HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14416 and HGNC:15829 and HGNC:21308 and HGNC:3594) or HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14416 and HGNC:15829 and HGNC:21308 and HGNC:3594) or HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14416 and HGNC:15829 and HGNC:21308 and HGNC:3594) or HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3594 NOTES: NCD SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:414 or HGNC:417 or HGNC:418 NOTES: 6765112 - fluorescence of presence in human brain SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:414 or HGNC:417 or HGNC:418 NOTES: NCD SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:414 or HGNC:417 or HGNC:418 NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:417 NOTES: NCD SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3606 or HGNC:3607 NOTES: SMP SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3606 or HGNC:3607 or HGNC:8872 or HGNC:8873 or HGNC:8874 or HGNC:8875 NOTES: IF SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3647 NOTES: NCD; r0096 SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Note - formcoa formula is uncharged - the correct is FACOAH2 w/ forcoa NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:3978 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20797 NOTES: stoichiometry unknown; inferred from EC1.16.1.7 NCD SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29500 NOTES: kh 1/6/03 NCD SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20910 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:24671 NOTES: Human Y/N: Y SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2861 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3824 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4249 NOTES: Human Y/N: Y SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.5.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3974 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7437 NOTES: NCD SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26777 or HGNC:3978 NOTES: IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7432 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21055 or HGNC:7432 NOTES: NCD SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4008 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4006 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4008 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4006 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3700 SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3579 NOTES: NCD SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3700 NOTES: IF. Biochemical SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4012 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4014 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4014 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4014 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4014 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4014 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4020 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate II biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: Keratan sulfate I biosynthesis NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:924 or HGNC:925 or HGNC:926 or HGNC:928 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Nucleotide sugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4455 NOTES: NAD-specific; see also G3PD2 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: spontaneous reaction NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:9722 NOTES: SAB m TDV: name change from G5SDm SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21526 or HGNC:4417 NOTES: Previously EC 5.3.1.10 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4795 NOTES: tv, jp NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4057 NOTES: JLR - a reversible reaction that is otherwise identical to ZWF SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4057 or HGNC:4795 NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24861 or HGNC:28906 or HGNC:4056 NOTES: NCD SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4136 NOTES: SAB c SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24240 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24240 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4115 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4117 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4117 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4117 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4117 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4118 or HGNC:4119 NOTES: INVALID ECO TERM: IFH SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24290 or HGNC:24292 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24290 or HGNC:24292 or HGNC:24293 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24290 or HGNC:24292 or HGNC:24293 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24290 or HGNC:24292 or HGNC:24293 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24290 or HGNC:24292 or HGNC:24293 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19873 or HGNC:19875 or HGNC:19877 or HGNC:21531 or HGNC:22946 or HGNC:23242 or HGNC:4123 or HGNC:4124 or HGNC:4125 or HGNC:4126 or HGNC:4127 or HGNC:4128 or HGNC:4129 or HGNC:4130 or HGNC:4131 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:380 or HGNC:381 SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4135 SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17978 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:930 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12527 or HGNC:12527 NOTES: Human Y/N: Y SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7043 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:95 NOTES: for humans - seq predicted SLC transporters have been found to have O-acetylation activity on gangliosides NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:95 NOTES: for humans - seq predicted SLC transporters have been found to have O-acetylation activity on gangliosides NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:95 NOTES: for humans - seq predicted SLC transporters have been found to have O-acetylation activity on gangliosides NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:95 NOTES: for humans - seq predicted SLC transporters have been found to have O-acetylation activity on gangliosides NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24864 or HGNC:4141 NOTES: SMP. Same reaction as GAPDH, but localied to spermatids. NOTE: I think "glyceroyl" in this and many other reactions should be "glycerol". There are "glyceroyl" compounds, but I don't think that is what is intended here. SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4163 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:318 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:318 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:318 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4177 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4177 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20460 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 or HGNC:412 or HGNC:877 NOTES: JLR SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 or HGNC:408 or HGNC:7179 or HGNC:9722 NOTES: JLR SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2898 and HGNC:4208 and HGNC:4313 and HGNC:473 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2898 and HGNC:4208 and HGNC:4313 and HGNC:473 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2898 and HGNC:4208 and HGNC:4313 and HGNC:473 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2898 and HGNC:4208 and HGNC:4313 and HGNC:473 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2898 and HGNC:4208 and HGNC:4313 and HGNC:473 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2898 and HGNC:4208 and HGNC:4313 and HGNC:473 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4204 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4241 or HGNC:4242 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12390 NOTES: Both human and Escherichia coli enzymes can use NADH in place of NADPH to a slight extent. IT SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) - last step from 5-glutamyl to monoglutamyl is in one step IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) - last step from 5-glutamyl to monoglutamyl is in one step IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) - last step from 5-glutamyl to monoglutamyl is in one step IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) - last step from 5-glutamyl to monoglutamyl is in one step IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) - last step from 5-glutamyl to monoglutamyl is in one step IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) - last step from 5-glutamyl to monoglutamyl is in one step IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4248 NOTES: REMOVES EITHER ONE OR TWO GLUTAMYL RESIDUES WITH A REACTION (WILL ONLY REPRESENT 1) IT SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4699 and HGNC:4706) or (HGNC:4699 and HGNC:4707) or (HGNC:4700 and HGNC:4706) or (HGNC:4700 and HGNC:4707) NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4260 NOTES: Cleaves the gamma-glutamyl peptide bond of glutathione conjugates, but maybe not glutathione itself. Converts leukotriene C4 (LTC4) to leukotriene D4 (LTD4). NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Converts leukotriene E4 (LTE4) to leukotriene D4 (LTE4). NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10850 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10850 or HGNC:10852 NOTES: NCD SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10850 NOTES: MM-accoding to Hulse et. al (1978) SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10852 NOTES: MM-according to Hulse et. al (1978) SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4693 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:4693 NOTES: it. No evidence in the mitochondrion SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 or HGNC:412 NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4296 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4180 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 or HGNC:5322 NOTES: NCD SUBSYSTEM: Hyaluronan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 NOTES: NCD SUBSYSTEM: Hyaluronan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17855 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24293 or HGNC:29270 NOTES: EC 2.4.1.226 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24293 or HGNC:29270 NOTES: EC 2.4.1.226 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24293 or HGNC:29270 NOTES: EC 2.4.1.226 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17198 and HGNC:24291) or HGNC:24293 or HGNC:29270 NOTES: EC 2.4.1.226 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3512 and HGNC:3513 NOTES: EC 2.4.1.225 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3512 and HGNC:3513 NOTES: EC 2.4.1.225 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3512 and HGNC:3513 NOTES: EC 2.4.1.225 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3512 and HGNC:3513 NOTES: EC 2.4.1.225 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:921 or HGNC:922 or HGNC:923 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7632 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7632 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7632 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7632 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7632 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20779 or HGNC:7680 or HGNC:7681 or HGNC:7682 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3516 or HGNC:3518 NOTES: EC 2.4.1.223 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:3512 and HGNC:3513) or HGNC:3515 or HGNC:3518 NOTES: EC 2.4.1.224 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:3512 and HGNC:3513) or HGNC:3515 or HGNC:3518 NOTES: EC 2.4.1.224 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:3512 and HGNC:3513) or HGNC:3515 or HGNC:3518 NOTES: EC 2.4.1.224 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:3512 and HGNC:3513) or HGNC:3515 or HGNC:3518 NOTES: EC 2.4.1.224 NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:321 NOTES: lumped reaction, combination of 4-alpha-D-glucanotransferase (2.4.1.25) and amylo-alpha-1,6-glucosidase (3.2.1.33) NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:4699 and HGNC:4706) or (HGNC:4699 and HGNC:4707) or (HGNC:4700 and HGNC:4706) or (HGNC:4700 and HGNC:4707) NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:21016 or HGNC:4341 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9723 or HGNC:9725 or HGNC:9726 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9723 or HGNC:9725 or HGNC:9726 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:9722 NOTES: SAB m SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4311 and HGNC:4312 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4092 or HGNC:4093 NOTES: JLR- added h to balance SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4335 or HGNC:4336 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4335 or HGNC:4336 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3974 NOTES: SAB SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29570 or HGNC:4331 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9238 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4189 NOTES: SAB use of FAD is not certain SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19708 or HGNC:21481 or HGNC:28335 or HGNC:30866 or (HGNC:6535 and HGNC:6541) or HGNC:6535 or HGNC:6541 or HGNC:6544 NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4809 or HGNC:4810 NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4175 NOTES: SAB c SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4188 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4570 NOTES: JLR SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4809 or HGNC:4810 NOTES: tv NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4289 or HGNC:4291 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4289 or HGNC:4291 NOTES: TV SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14177 or HGNC:4805 NOTES: IF SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4805 NOTES: IF SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4369 NOTES: JLR SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4376 or HGNC:4377 or HGNC:4377 or HGNC:4377 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4378 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8891 NOTES: SMP Note no proton generation by the the reaction NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4415 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24865 or HGNC:25193 NOTES: NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20880 or HGNC:24865 or HGNC:27168 or HGNC:28157 NOTES: NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23213 NOTES: EC 2.3.-.- NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25712 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25712 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4249 NOTES: Human Y/N: Y SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3631 NOTES: peroxisomal version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4330 or HGNC:16065 or HGNC:16065 NOTES: NCD. activity catalyzed by GSTO2-2 SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4623 NOTES: NCD, TV This EC (1.6.4.2) is obsolete. The new EC is 1.8.1.7. http://www.genome.ad.jp/dbget-bin/www_bget?ec:1.6.4.2 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4623 NOTES: NCD, TV This EC (1.6.4.2) is obsolete. The new EC is 1.8.1.7. http://www.genome.ad.jp/dbget-bin/www_bget?ec:1.6.4.2 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4553 or HGNC:4554 or HGNC:4556 or HGNC:9352 or HGNC:9353 NOTES: NCD SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4553 or HGNC:4554 or HGNC:4555 or HGNC:4558 or HGNC:4559 NOTES: SAB SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4553 or HGNC:4556 or HGNC:9354 NOTES: TV (8-15-2003) SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4624 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4193 NOTES: The reaction involves hydrolysis of two C-N bonds and isomerization of the pentose unit; the recyclization may be non-enzymic SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4193 NOTES: The reaction involves hydrolysis of two C-N bonds and isomerization of the pentose unit; the recyclization may be non-enzymic SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4684 and HGNC:4687) or (HGNC:4685 and HGNC:4686) or (HGNC:4685 and HGNC:4687) or HGNC:4688 or HGNC:4689 or HGNC:4691 or HGNC:7943 or HGNC:7944 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4212 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5157 NOTES: Guanine and 6-mercaptopurine can replace hypoxanthine EC added (2.4.2.7 makes the same reaction) IT SUBSYSTEM: Nucleotide salvage pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1368 or HGNC:1371 or HGNC:1372 or HGNC:1373 or HGNC:1374 or HGNC:1375 or HGNC:1380 or HGNC:1381 or HGNC:1383 or HGNC:14914 NOTES: tv SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1377 or HGNC:1378 NOTES: tv SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8967 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:13273 or HGNC:3062 NOTES: SAB lumped reaction--first O2 goes to superoxide radical, then dismutes to H2O2 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8967 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23215 and HGNC:8962 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8967 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25985 and HGNC:8962 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23215 and HGNC:8962 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8967 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25985 and HGNC:8962 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8967 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14937 and HGNC:14938 and HGNC:15791 and HGNC:4446 and HGNC:8965 NOTES: EC 2.6.-.- NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30596 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30596 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14937 and HGNC:14938 and HGNC:15791 and HGNC:4446 and HGNC:8965 NOTES: EC 2.6.-.- NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) NOTES: Same as EC 1.1.1.157 SAB mito. some physiological SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 NOTES: Same as EC 1.1.1.157 SAB x SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 NOTES: MM. inborn deficiency enzyme causes accumulation of substrate 3-hydroxy-2-methylbutyric acid SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25223 NOTES: Used to make Ubiquinone-10 EC 2.5.1.- IT SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:23302 or HGNC:4195 or HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:23302 or HGNC:4195 or HGNC:4922 or HGNC:4923 or HGNC:4925 NOTES: D-Glucose, D-mannose, D-fructose, sorbitol and D-glucosamine can act as acceptors; ITP and dATP can act as donors. The liver isoenzyme has sometimes been called glucokinase. SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:23302 or HGNC:4195 or HGNC:4922 or HGNC:4923 or HGNC:4925 NOTES: D-Glucose, D-mannose, D-fructose, sorbitol and D-glucosamine can act as acceptors; ITP and dATP can act as donors. The liver isoenzyme has sometimes been called glucokinase. also active in ecoli PMID: 4557975 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:23302 or HGNC:4195 or HGNC:4922 or HGNC:4923 or HGNC:4925 NOTES: D-Glucose, D-mannose, D-fructose, sorbitol and D-glucosamine can act as acceptors; ITP and dATP can act as donors. The liver isoenzyme has sometimes been called glucokinase. Same as 2.7.1.4 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4892 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4907 NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4806 SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2719 or HGNC:4855 NOTES: IF SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:549 or HGNC:80 NOTES: SAB SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6469 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4982 SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5006 NOTES: NCD ER version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5007 NOTES: NCD New assignment: EC-2.3.3.10 EC-4.1.3.5 (created 1961, deleted 2002). Enzyme Commission Made irreversible to match KEGG data for S. aureus SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5008 NOTES: NCD New assignment: EC-2.3.3.10 EC-4.1.3.5 (created 1961, deleted 2002). Enzyme Commission mitochondrial enzyme NJ Made irreversible to match KEGG data for S. aureus SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21359 or HGNC:5005 NOTES: TV SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5005 NOTES: TV NJ added peroxisomal version - see Olivier Biochimica et Biophysica Act 1529 (2000) 89-102 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5013 or HGNC:5014 NOTES: TDV (4/28/2004) There are conflicting data on how many moles of NADPH consumed per mole of Biliverdine (Tenhunen 1969, Ryter, 2000). Heme oxygenase is a well known enzyme SUBSYSTEM: Heme degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: pristanal is the fatty aldehyde analog of pristanic acid Catalyzes a carbon-carbon cleavage reaction; cleaves a 2-hydroxy-3-methylacyl-CoA into formyl-CoA and a 2-methyl-branched fatty aldehyde. NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:19708 or HGNC:21481 or HGNC:28335 or (HGNC:6535 and HGNC:6541) or HGNC:6535 or HGNC:6541 or HGNC:6544 NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4570 NOTES: JLR SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10818 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10818 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10818 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10818 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5208 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5209 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3554 or HGNC:5210 NOTES: direct enzymatic rates quantified in human brain tissue SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5211 NOTES: microsomal NAD as cofactor HSD type 2 recheck/confirm comparmentalization - type 1: cytosol, types 2,3: microsomes NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5213 NOTES: see Russell bile acid synthesis review paper in human recon citation db adamanski et al Steroids (1997) 62:159 notes cofactor NADP/NADPH use SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5213 NOTES: see Russell bile acid synthesis review paper in human recon citation db adamanski et al Steroids (1997) 62:159 notes cofactor NADP/NADPH use SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5215 NOTES: Recombinant cDNA from human granulosa cells were purified and used in an enzyme assay, Km and Kcat values quantified SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5211 NOTES: microsomal NAD as cofactor HSD type 2 recheck/confirm comparmentalization - type 1: cytosol, types 2,3: microsomes NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:5215 NOTES: see PMID: 14643063 inferred use of O2 for oxidation - biochemical details have not yet been experimentally elucidated NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:387 NOTES: Microsomal rxn see PMID: 14643063 substrate specificity still not clear (nad vs nadp) NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:387 NOTES: Microsomal rxn see PMID: 14643063 substrate specificity still not clear (nad vs nadp) NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5217 NOTES: progesterone prduction measured after the incubation of human granulosa cells with pregnenolone SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5218 NOTES: progesterone prduction measured after the incubation of human granulosa cells with pregnenolone SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5218 NOTES: kinetic studies done with recombinant human cDNA transfected into baculovirus SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5217 NOTES: Human 3betaHSD type1 recombinantly expressed in baculovirus, kinetic parameters determined using 17alpha-hydroxypregnenolone as substrate and isomerase activity quantified with dehydroepiandrosterone as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5218 NOTES: Human 3betaHSD type1 recombinantly expressed in baculovirus, kinetic parameters determined using 17alpha-hydroxypregnenolone as substrate and isomerase activity quantified with dehydroepiandrosterone as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5218 NOTES: see PMID: 14643063 specific cofactors/etc have not yet been determined - largely inferred NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5218 NOTES: see PMID: 14643063 specific cofactors/etc have not yet been determined - largely inferred NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18324 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Note that this reaction occurs in the endosome during endocytosis, but has been compartmentalized as lysosomal. NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5157 NOTES: Guanine (see GUAPRT) and 6-mercaptopurine can replace hypoxanthine SUBSYSTEM: Nucleotide salvage pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30259 NOTES: NCD SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB mechanism follows uncertain information in PMID 15189131 SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5384 and HGNC:5385 and HGNC:5386 NOTES: The reaction may be reversible. Strathern shows the reactions as irreversible. IF. Biochemical, Genetic SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5382 NOTES: Two reactions (ICDH1 and ICDH2) for isocitrate dehydrogenase SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5382 NOTES: Strathern indicates this reaction as irreversible. It may be reversible. Location is the peroxisomal matrix (MIPS). IF SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5383 NOTES: The reaction may be reversible. Strathern shows the reaction as irreversible. IF SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12015 NOTES: SAB H + I instead of HI SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12015 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12015 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12015 NOTES: SAB different because now HI = H + I due to pKa of -10 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5391 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5391 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5391 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5391 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:976 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:977 NOTES: NCD SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:412 or HGNC:877 NOTES: SAB 2 H's on RHS are there to balance--not certain. enzymatic assay shows substrate used by aldehyde dehydrogenase in human liver SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: SAB 2 H's on RHS are there to balance--not certain. enzymatic assay shows substrate used by aldehyde dehydrogenase in human liver SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:794 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6052 or HGNC:6053 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14522 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23487 or HGNC:5387 NOTES: peroxisomal version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11449 and HGNC:11450 NOTES: NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:11448 and HGNC:11449 NOTES: NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:28577 SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6315 NOTES: NCD SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6315 NOTES: NCD SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6315 NOTES: NCD SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6469 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6381 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1564 or HGNC:17929 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: SAB name is a guess SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4298 or HGNC:6530 NOTES: Some enzymes in this group hydrolyse a-L-arabinosides; some animal enzymes also hydrolyse b-D-fucosides and b-D-glucosides; cf. EC 3.2.1.108 lactase SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251) or (HGNC:4298 and HGNC:9251) NOTES: Some enzymes in this group hydrolyse a-L-arabinosides; some animal enzymes also hydrolyse b-D-fucosides and b-D-glucosides; cf. EC 3.2.1.108 lactase SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:253 NOTES: EC 1.2.1.1 NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:381 NOTES: AMF SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: IT. human enzymes overexpressed on E.coli, Pig Liver SUBSYSTEM: CoA catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 or HGNC:412 or HGNC:877 NOTES: JLR- added irreversible form of LCAD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 or HGNC:412 or HGNC:877 NOTES: JLR- added irreversible form of LCAD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 or HGNC:408 or HGNC:7179 or HGNC:9722 NOTES: JLR- added irreversible form of LCAD added rxn for D-lac - NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 or HGNC:408 or HGNC:7179 or HGNC:9722 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6522 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4432 NOTES: described in PMID: 3346220 and KEGG MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4433 NOTES: described in PMID: 3346220 and KEGG MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18966 or HGNC:4092 or HGNC:4093 NOTES: SAB SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:19708 NOTES: See also LDL_L. D-lactate metabolism measured in rat mitochondria; probably depend on D-LDH activity in matrix plus transport activity across mitochondrial membrane; putative human D-LDH cloned ; D-lactate formed in nanomolar concentrations via the methylglyoxal pathway; D- -hydroxy acid dehydrogenase (EC 1.1.99.6) SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:21481 or HGNC:28335 or HGNC:30866 or (HGNC:6535 and HGNC:6541) or HGNC:6535 or HGNC:6541 or HGNC:6544 NOTES: Also see LDL_D SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19708 or HGNC:6535 or HGNC:6541 NOTES: This follows the convention of L-LACtm Also see LDL_D. SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:976 NOTES: _2.6.1.42 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:977 NOTES: NCD SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6469 NOTES: SAB changed to L form SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4323 NOTES: IF SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2648 NOTES: NCD SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:6708 NOTES: NCD ER version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15449 or HGNC:2014 or HGNC:9035 NOTES: phosphatidyl choline degradation NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17804 SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1848 or HGNC:18590 or HGNC:6619 or HGNC:6677 NOTES: carbonyl and extra H accounted for in R group NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1848 or HGNC:6677 NOTES: FULLR corresponds to acyl/R groups in texts. NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:6619 NOTES: carbonyl and extra H accounted for in R group NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17038 NOTES: NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:6619 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17934 NOTES: FULLR corresponds to acyl/R groups in texts. NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6619 or HGNC:6622 or HGNC:6623 or HGNC:6677 or HGNC:9155 or HGNC:9156 NOTES: FULLR corresponds to acyl/R groups in texts. NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6685 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: This reaction takes place in skin and needs UV 290-305. based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.194 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10547 NOTES: lanosterol -> cholesterol pathway NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10547 or HGNC:2651 NOTES: lanosterol -> cholesterol pathway NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6710 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Converts leukotriene C4 (LTC4) to leukotriene F4 (LTF4). NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6719 or HGNC:7063 or HGNC:7064 NOTES: previous EC 2.5.1.37 EC: 4.4.1.20 NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Converts leukotriene D4 (LTD4) to leukotriene E4 (LTE4). unknown compartmentalization, cytosolic by default NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10761 or HGNC:11479 or HGNC:13726 or HGNC:14129 or HGNC:17287 or HGNC:20263 or HGNC:24650 or HGNC:24948 or HGNC:29489 or HGNC:30412 NOTES: MM. siRNA knockdown in cell line - inhibited function; mainly function in heterochromatic regions SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10761 or HGNC:11479 or HGNC:13726 or HGNC:14129 or HGNC:17287 or HGNC:20263 or HGNC:24650 or HGNC:24948 or HGNC:29489 or HGNC:30412 NOTES: MM. siRNA knockdown in cell line - inhibited function; mainly function in heterochromatic regions SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10761 or HGNC:11479 or HGNC:13726 or HGNC:14129 or HGNC:17287 or HGNC:20263 or HGNC:24650 or HGNC:24948 or HGNC:29489 or HGNC:30412 NOTES: MM. siRNA knockdown in cell line - inhibited function; mainly function in heterochromatic regions SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6824 or HGNC:6825 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7044 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7047 or HGNC:7048 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7046 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7049 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7045 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14937 and HGNC:15791 and HGNC:4446 and HGNC:8965 NOTES: EC 2.6.-.- NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25985 and HGNC:8962 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14937 and HGNC:14938 and HGNC:15791 and HGNC:4446 and HGNC:8965 NOTES: EC 2.6.-.- NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23215 and HGNC:8962 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4643 or HGNC:4643 or HGNC:4643 NOTES: NCD SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 or HGNC:6834 NOTES: SAB added 2 h to balance--not certain SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4065 or HGNC:4139 or HGNC:7043 NOTES: IF SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7043 NOTES: IF SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4065 NOTES: IF SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6823 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6823 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22923 or HGNC:22932 NOTES: JLR SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7216 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:549 or HGNC:550 or HGNC:80 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6936 and HGNC:6937 NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7150 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7150 NOTES: TDV (9/14/2004) added "m" to denote compartmentalization - NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7150 NOTES: TDV (9/14/2004) NJ added peroxismal and cytoplasmic reactions SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD new EC is 2.3.3.5 - NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21481 or HGNC:28335 or HGNC:30866 or (HGNC:6535 and HGNC:6541) or HGNC:6535 or HGNC:6541 or HGNC:6544 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3594 NOTES: tv SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29622 NOTES: NCD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7223 NOTES: MM AMF. assay developed to find activity in red and white blood cells SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17836 or HGNC:6970 NOTES: Biochemical SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6970 or HGNC:6971 NOTES: IF. Biochemical SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR- Based on reaction given for B. subtilis (Sekowska A and A. Danchin paper(2002) ) SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6984 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6983 SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6984 or HGNC:6985 NOTES: IF SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IF SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:6059 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2621 and HGNC:9208 or HGNC:2595 and HGNC:9208 or HGNC:2597 and HGNC:9208 or HGNC:2596 and HGNC:9208 NOTES: SAB made up name SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: also EC 4.1.3.22 NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6903 or (HGNC:6904 and HGNC:6905) SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7468 NOTES: Human Y/N: Y SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7530 NOTES: peroxisomal version NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24862 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4138 and HGNC:941) NOTES: EC-3.2.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4138 and HGNC:941) NOTES: EC-3.2.1.- NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: C5-branched dibasic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:890 NOTES: MM SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Previously EC 4.2.99.11 this rxn represents the enzymatic conversion or non-enzymatic fragmentation of dhap to mthgxl - NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: this rxn also represents the enzymatic conversion or non-enzymatic fragmentation of g3p to mthgxl - NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:549 or HGNC:550 or HGNC:80 SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: EC 2.7.1.- NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20739 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11503 or HGNC:21474 or HGNC:6076 or HGNC:6077 or HGNC:6079 or HGNC:6080 or HGNC:8956 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20739 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6071 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20739 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20739 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14897 or HGNC:6178 or HGNC:6179 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20739 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11503 or HGNC:21474 or HGNC:6076 or HGNC:6077 or HGNC:6079 or HGNC:6080 or HGNC:8956 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6071 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6050 or HGNC:6051 or HGNC:7449 or HGNC:7450 NOTES: JLR SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29821 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6074 or HGNC:6075 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6050 or HGNC:6051 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6050 or HGNC:6051 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4139 NOTES: JLR SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7043 NOTES: JLR SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4065 NOTES: JLR SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6823 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19080 or HGNC:6821 or HGNC:6822 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:7150 NOTES: JLR SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:7150 NOTES: JLR mitochondrial isoform - NCD SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:7150 NOTES: JLR peroxisomal isoform - NCD SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16732 NOTES: TDV SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7526 NOTES: TDV SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7179 NOTES: TV Also converts propanal to propanoyl-CoA SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7179 NOTES: also EC 1.2.1.18 - NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM. biochemical activity measured in rat, sequence similarity found in human SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18210 or HGNC:23248 NOTES: FULLR corresponds to acyl/R groups in texts. NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7413 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7432 NOTES: Human Y/N: Y SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21055 or HGNC:7434 NOTES: NCD SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7432 or HGNC:7436 NOTES: Human Y/N: Y SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:31865 or HGNC:7434 NOTES: NCD SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7434 NOTES: NCD SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21055 or HGNC:7432 or HGNC:7434 NOTES: NCD SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24337 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: EC 2.4.1.- NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:412 or HGNC:877 NOTES: NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: NCD SAB m SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24104 or HGNC:756 NOTES: SAB SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Hyaluronan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 or HGNC:4879 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:4878 and HGNC:4879) or HGNC:4878 NOTES: Note that this reaction is specific to beta-N-acetylhexosaminidase A and cannot be catalyzed by beta-N-acetylhexosaminidase B (or presumably beta-N-acetylhexosaminidase S). This is also a lumped reaction, representing the cleavage of GalNAc4S or GalNAc6S and N-acetylgalactosamine 4-sulfatase or 6-sulfatase. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29831 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1667 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: See EC 3.2.2.5 for NAD nucleosidase SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1667 NOTES: See EC 3.2.2.5 for NAD nucleosidase SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29832 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7631 NOTES: Alpha-galactosidase B NJ SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Beta-galactosidase B - no evidence to support this actually happens yet; added by analogy with alpha-galactosidase B (NAGAIy) NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7631 NOTES: Alpha-galactosidase B NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: EC 3.2.1.- This reaction is my best guess at how the GlcNAc-beta-1,6-GalNAc linkage is cleaved. NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:20675 or HGNC:24437 NOTES: NAME Nalpha-(beta-alanyl)-L-histidine hydrolase DEFINITION Carnosine + H2O <=> beta-Alanine + L-Histidine SAB made irreversible for human SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19721 or HGNC:24860 or HGNC:3363 or HGNC:3365 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19721 or HGNC:24860 or HGNC:3363 or HGNC:3365 NOTES: EC is 3.6.1.42? NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:28777 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14573 or HGNC:19721 or HGNC:3367 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19721 or HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14573 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3061 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19721 or HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. . Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20567 or HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20567 or HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions.. Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions.. Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20567 or HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions.. Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20567 or HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions.. Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions.. Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20567 or HGNC:7852 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions. SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: Many nucleoside diphosphates (eight described) can act as acceptors. While many ribo- and deoxyribonucleoside triphosphates can act as donors, only ATP is chosen as a donor to minimize the number of total reactions.. Presence in the nucleus SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20461 or HGNC:20567 or (HGNC:7849 and HGNC:7850) or HGNC:7851 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7852 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7849 and HGNC:7850 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: no gene or enzyme name known (in kegg) but reaction has to take place. IT SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20989 NOTES: NCD SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17877 NOTES: IT SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16789 or HGNC:20989 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30092 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:549 or HGNC:550 or HGNC:80 NOTES: SAB SUBSYSTEM: Alkaloid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20989 NOTES: NCD SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17877 NOTES: IT SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16789 or HGNC:17877 or HGNC:20989 NOTES: JLR SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7861 NOTES: IT SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9160 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7876 NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7876 NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7892 NOTES: NCD SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11455 NOTES: RS/TV (6/14/05) SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23614 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23614 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: IT SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:17820 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31. Rat SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:8918 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15769 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17820 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8021 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15769 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:4678 or HGNC:8021 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17144 or HGNC:8021 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31. Not clear whether it is cytosolic but enzymes in this metabolism often are SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15769 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:8021 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17818 or HGNC:17820 or HGNC:8021 or HGNC:8022 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17144 or HGNC:8021 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:123 or HGNC:124 or HGNC:125 or HGNC:29609 NOTES: Wide specificity for 5'-nucleotides Also see EC 3.1.3.31 IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19721 or HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6176 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6176 NOTES: JLR; IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6176 NOTES: JLR; IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10856 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10856 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: as shown in Lehninger (4th ed.) for threonine degradation MM SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8512 NOTES: TDV SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18606 or HGNC:8527 NOTES: TDV SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2698 and HGNC:HGNC:987 and HGNC:986 and HGNC:HGNC:2898 or HGNC:2698 and HGNC:HGNC:2898 and HGNC:HGNC:987 and HGNC:986 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2698 and HGNC:HGNC:987 and HGNC:986 and HGNC:HGNC:2898 or HGNC:2698 and HGNC:HGNC:2898 and HGNC:HGNC:987 and HGNC:986 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2698 and HGNC:HGNC:987 and HGNC:986 and HGNC:HGNC:2898 or HGNC:2698 and HGNC:HGNC:2898 and HGNC:HGNC:987 and HGNC:986 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12563 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8149 NOTES: AF Added from KEGG SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8109 NOTES: JLR- added proton to balance SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8091 NOTES: kh 1/7/03 SAB m SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12563 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2590 NOTES: reaction sequence mx steps, grouped into single reaction uses adrenal ferredoxin NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2591 NOTES: Characterization of cyp11b1 activity in transfected cos-7 cells using 11-deoxycorticosterone (DOC) as substrate and corticosterone formation quantifed by HPLC SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2591 NOTES: both PMID's refer to enzymatic data being characterised in transfected (with human cyp11b1) cos-7 cells for the conversion of 11-deoxycortisol to cortisol SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2592 NOTES: Characterization of cyp11b1 activity in transfected cos-7 cells using 11-deoxycorticosterone (DOC) as substrate and quantifying aldosterone production by HPLC SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2593 NOTES: cytosolic by default - RETURN AND CHECK AFTER DEEPER LIT SEARCH NJ. Kinetic studies conducted with recombinant e.coli transfected with human p450c17 with pregnenolone as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2597 and HGNC:9208 NOTES: ER noted in locuslink ref - RETURN AND CHECK AFTER DEEPER LIT SEARCH NJ. PMID_12915666 quantifies kinetic parameters using microsomal proteins from fetal testicular tissue with tritiated hydroxy-pregnenolone as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2593 NOTES: ER inferred from lit ref - RETURN AND CHECK AFTER DEEPER LIT SEARCH NJ. Kinetic studies conducted with recombinant e.coli transfected with human p450c17 with progesterone used as substrate and 17alpha-hydroxyprogesterone formation quantified SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2597 and HGNC:9208 NOTES: ER noted in locuslink ref - RETURN AND CHECK AFTER DEEPER LIT SEARCH NJ. Kinetic parameters quantified using microsomal proteins from fetal testicular tissue with tritiated hydroxy-progesterone as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2594 NOTES: Kinetic parameters determined for wild type aromatase and allozymes with tritiated androstenedione as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2594 NOTES: human aromatase cDNA transfected cell lines used and kinetic properties described with tritiated androstenedione as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: _4 hydroxylation of 17 beta estradiol NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2600 NOTES: aka CYP21B NJ. human cyp21a2 kinetic activity characterised in transfected cos-1 cells with tritiated hydroxy-progesterone and progesterone as substrates SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2600 NOTES: aka CYP21B NJ. human cyp21a2 kinetic activity characterised in transfected cos-1 cells with tritiated hydroxy-progesterone and progesterone as substrates SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: from uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: from uniprot Russell - bile acid biosynthesis review paper in human recon citation db NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: from uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: from uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: from uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: from uniprot NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2608 or HGNC:2610 NOTES: coumarin: 7 hydroxylation assumed to take place on outer membrane - xenobiotic metabolism NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2621 and HGNC:9208) or (HGNC:2637 and HGNC:9208) NOTES: antipyrine N-demethylation assumed to take place on outer membrane stoichiometry inferred (methanol production vs methane production?) NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2621 and HGNC:9208) or (HGNC:2652 and HGNC:9208) NOTES: omeprazole 5 methyl hydroxylation assumed to take place on outer membrane - since a xenobiotic NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2622 NOTES: paclitaxol 6 alpha hydroxylation assumed to take place on outer membrane - xenobiotic metabolism NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 NOTES: tolbutamide 4 methyl hydroxylation assumed to take place on outer membrane - xenobiotic metabolism NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:2621 and HGNC:9208) or (HGNC:2652 and HGNC:9208) NOTES: assumed to take place on outer membrane NJ SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:2621 and HGNC:9208) or (HGNC:2652 and HGNC:9208) NOTES: assumed to take place on outer membrane NJ SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:2621 and HGNC:9208) or (HGNC:2652 and HGNC:9208) NOTES: assumed to take place on outer membrane NJ SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2625 NOTES: debrisoquine 4-hydroxylation assumed to take place on outer membrane NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2631 NOTES: _4 nitrophenol 2-hydroxylation assumed to take place on outer membrane (xenobiotic metabolism) NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2632 NOTES: naphthalene epoxidation assumed to take place on outer membrane NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2615 and HGNC:9208 NOTES: NJ - by analogy/similarity to xol hydrolase reactions (NADPH w/ O2 - NADH also noted to be cofactor if needed) SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17450 NOTES: omega hydroxylation of testosterone NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2640 and HGNC:9208) NOTES: _8,9 epoxidation of aflatoxin assumed to take place on outer membrane NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2640 NOTES: _3 beta hydroxylation of testosterone NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2615 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2644 and HGNC:9208 or HGNC:18857 and HGNC:9208 NOTES: _12 hydroxylation of arachidonic acid NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2642 and HGNC:9208) or (HGNC:2646 and HGNC:9208) NOTES: omega hydroxylation of arachidonic acid NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2645 and HGNC:9208 or HGNC:18857 and HGNC:9208 or HGNC:2646 and HGNC:9208 NOTES: omega hydroxylation of leukotriene B4 - see CYP4F3 NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18857 NOTES: omega hydroxylation of ebastine NJ SUBSYSTEM: Cytochrome metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2648 NOTES: w-2 hydroxylation of arachidonic acid -> 19R-Hydroxyprostaglandins NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2651 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2596 and HGNC:9208 NOTES: NJ - added, substrates by analogy to other xol hydroxylase reactions (NADH in general can be used in place of NADPH) SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2596 and HGNC:9208 NOTES: NJ - substrates by similarity/analogy to hydroxylase reactions (literature notes NADH can often be used in place of NADPH) SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2653 NOTES: NJ - added, substrates by analogy to other xol hydroxylase reactions (NADH and NADPH can both be used) SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2653 NOTES: NJ - added, substrates by analogy to other xol hydroxylase reactions (NADH and NADPH can both be used) SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: further oxidation of omega hydroxy LTB4 (leukotriene B4) stoichiometry inferrered - explicity primary literature refs not found NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: Acting on paired donors with incorporation of molecular oxygen With a reduced iron-sulfur protein as one donor, and incorporation of one atom of oxygen SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:406 NOTES: NCD SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:9721 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:8574 and HGNC:8575 and HGNC:8576) or (HGNC:8575 and HGNC:8576) or HGNC:8579 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9040 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT. human enzymes overexpressed on E.coli SUBSYSTEM: CoA catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9067 or HGNC:9068 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9067 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9067 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9067 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19288 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9081 or HGNC:9082 or HGNC:9083 NOTES: MM unbalanced reaction SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8636 NOTES: TV Metabolism at a glance SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8772 or HGNC:8773 or HGNC:8774 or HGNC:8775 or HGNC:8776 or HGNC:8777 or HGNC:8778 or HGNC:8779 or HGNC:8780 or HGNC:8781 or HGNC:8782 or HGNC:8783 or HGNC:8791 or HGNC:8792 or HGNC:8793 or HGNC:8794 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8772 NOTES: NCD, IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8772 or HGNC:8773 or HGNC:8774 or HGNC:8775 or HGNC:8776 or HGNC:8777 or HGNC:8778 or HGNC:8779 or HGNC:8784 or (HGNC:8785 and HGNC:8786 and HGNC:8787 and HGNC:8788 and HGNC:8789) or (HGNC:8785 and HGNC:8786 and HGNC:8790) or HGNC:8787 or HGNC:8795 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8772 NOTES: NCD. IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8795 NOTES: NCD. IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:21350 and HGNC:2896 and HGNC:2898 and HGNC:8806 and HGNC:8808) or (HGNC:21350 and HGNC:2896 and HGNC:2898 and HGNC:8807 and HGNC:8808) NOTES: 12372595 - expression; 16436377 - biochemical, tissue-specific SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30260 NOTES: NCD SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:30259 NOTES: JLR SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:6834 or HGNC:80 or HGNC:6833 or HGNC:549 or HGNC:549 NOTES: JLR- Kegg reaction R02613 SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB EC 6.2.1.- name uncertain SUBSYSTEM: Alkaloid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8724 NOTES: 17888579 - kinetic characterization of human cytosolic form; 8325643 - homology to rat; 17211624 - immunohistochemistry for expression SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8724 or HGNC:8725 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8756 NOTES: NCD SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8830 NOTES: for human Catalyzes three sequential methylation of phosphatidylethanolamine (PE) by AdoMet, thus producing phosphatidylcholine (PC). [Swiss-prot] NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8830 NOTES: for human Catalyzes three sequential methylation of phosphatidylethanolamine (PE) by AdoMet, thus producing phosphatidylcholine (PC). [Swiss-Prot] NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8878 or HGNC:8876 or HGNC:8878 and HGNC:8876 or HGNC:8878 and HGNC:8877 or HGNC:8877 or HGNC:8878 and HGNC:8876 or HGNC:8876 or HGNC:8876 and HGNC:8877 or HGNC:8877 and HGNC:8876 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8872 or HGNC:8873 or HGNC:8874 or HGNC:8875 NOTES: IF SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8923 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17890 or HGNC:9592 NOTES: noted on RER, but also cytoplasmic structures NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17890 or HGNC:9592 NOTES: noted on RER, but also cytoplasmic structures NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17822 or HGNC:9599 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4458 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9603 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8896 or HGNC:8898 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8903 NOTES: SMP Net reaction same as described in Lehringer 334 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4795 NOTES: SMP Net reaction same as described in Lehringer 334 NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8909 NOTES: JLR SUBSYSTEM: Glyoxylate and dicarboxylate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1093 or HGNC:8888 or HGNC:8889 NOTES: SMP SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8905 or HGNC:8906 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:26965 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:30029 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9604 or HGNC:9605 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9604 or HGNC:9605 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:406 NOTES: NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: taken from KEGG map. No enzyme assigned, so assumed this is a non-enzymatic reaction. NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4432 SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11573 or HGNC:4433 NOTES: SAB m SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8582 NOTES: SAB unlumped form of PHETHPTOX according to PMID 10727395 SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8940 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9588 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9588 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11503 or HGNC:11504 or HGNC:21474 or HGNC:6076 or HGNC:6077 or HGNC:6079 or HGNC:6080 or HGNC:8956 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8994 or HGNC:8995 or HGNC:8996 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: EC 3.1.3.- NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30031 or HGNC:8983 or HGNC:8984 NOTES: NCD FULLR corresponds to acyl/R groups in texts. NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD FULLR corresponds to acyl/R groups in texts. NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8994 or HGNC:8995 or HGNC:8996 NOTES: NCD FULLR corresponds to acyl/R groups in texts. NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:16977 and HGNC:8978) or (HGNC:30035 and HGNC:8978) or (HGNC:8975 and HGNC:8979) or (HGNC:8975 and HGNC:8980) or (HGNC:8975 and HGNC:8981) or (HGNC:8976 and HGNC:8979) or (HGNC:8976 and HGNC:8980) or (HGNC:8976 and HGNC:8981) or (HGNC:8977 and HGNC:8979) or (HGNC:8977 and HGNC:8980) or (HGNC:8977 and HGNC:8981) NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11503 or HGNC:11504 or HGNC:21474 or HGNC:6077 or HGNC:8108 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15917 or HGNC:17175 or HGNC:19218 or HGNC:26462 or HGNC:29037 or HGNC:29185 or HGNC:9055 or HGNC:9056 or HGNC:9059 or HGNC:9060 or HGNC:9061 or HGNC:9062 or HGNC:9063 or HGNC:9065 or HGNC:9066 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15917 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:16977 and HGNC:8978) or (HGNC:30035 and HGNC:8978) or HGNC:8971 or HGNC:8972 or HGNC:8973 or (HGNC:8975 and HGNC:8979) or (HGNC:8975 and HGNC:8980) or (HGNC:8975 and HGNC:8981) or (HGNC:8976 and HGNC:8979) or (HGNC:8976 and HGNC:8980) or (HGNC:8976 and HGNC:8981) or (HGNC:8977 and HGNC:8979) or (HGNC:8977 and HGNC:8980) or (HGNC:8977 and HGNC:8981) NOTES: NCD Notice that contrary to some standards in texts, KEGG, etc, the Rtotal group accounts for the whole fatty acyl CoA (so the CHO only accounts for the core backbone), manner in which Rtotal was produced accounts for O and H balances. Formation of the Rtotal group (rxn flux)accounted for mass balance for CoA NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8972 NOTES: NCD Notice that contrary to some standards in texts, KEGG, etc, the Rtotal group accounts for the whole fatty acyl CoA (so the CHO only accounts for the core backbone), manner in which Rtotal was produced accounts for O and H balances. Formation of the Rtotal group (rxn flux)accounted for mass balance for CoA NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD Notice that contrary to some standards in texts, KEGG, etc, the Rtotal group accounts for the whole fatty acyl CoA (so the CHO only accounts for the core backbone), manner in which Rtotal was produced accounts for O and H balances. Formation of the Rtotal group (rxn flux)accounted for mass balance for CoA NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23785 or HGNC:23785 or HGNC:8994 or HGNC:8996 or HGNC:8995 or HGNC:23785 NOTES: Notice that contrary to some standards in texts, KEGG, etc, the Rtotal group accounts for the whole fatty acyl CoA (so the CHO only accounts for the core backbone), manner in which Rtotal was produced accounts for O and H balances. Formation of the Rtotal group (rxn flux)accounted for mass balance for CoA NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Notice that contrary to some standards in texts, KEGG, etc, the Rtotal group accounts for the whole fatty acyl CoA (so the CHO only accounts for the core backbone), manner in which Rtotal was produced accounts for O and H balances. Formation of the Rtotal group (rxn flux)accounted for mass balance for CoA NJ changed EC from 2.7.1.149 (pail5p) to 2.7.1.68 (pail4p) - NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15917 or HGNC:17175 or HGNC:19218 or HGNC:26462 or HGNC:29037 or HGNC:29185 or HGNC:9055 or HGNC:9056 or HGNC:9059 or HGNC:9060 or HGNC:9061 or HGNC:9062 or HGNC:9063 or HGNC:9065 or HGNC:9066 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15917 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:8979 and HGNC:8976 or HGNC:30035 and HGNC:8978 or HGNC:8979 and HGNC:8975 or HGNC:8977 and HGNC:8979 or HGNC:8972 or HGNC:8971 or HGNC:8977 and HGNC:8980 or HGNC:8979 and HGNC:8977 or HGNC:8980 and HGNC:8976 or HGNC:8975 and HGNC:8979 or HGNC:8973 or HGNC:8975 and HGNC:8981 or HGNC:8976 and HGNC:8979 or HGNC:16977 and HGNC:8978 or HGNC:8976 and HGNC:8981 or HGNC:8977 and HGNC:8979 or HGNC:8980 and HGNC:8975 or HGNC:8974 or HGNC:8977 and HGNC:8981 or HGNC:8976 and HGNC:8979 or HGNC:8975 and HGNC:8979 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:8972 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30031 or HGNC:8983 or HGNC:8984 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14135 and HGNC:3006 and HGNC:3046 and HGNC:8957 and HGNC:8960 and HGNC:8964 NOTES: NCD SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:16977 and HGNC:8978) or (HGNC:30035 and HGNC:8978) or HGNC:8971 or HGNC:8972 or HGNC:8973 or HGNC:8974 or (HGNC:8975 and HGNC:8979) or (HGNC:8975 and HGNC:8980) or (HGNC:8975 and HGNC:8981) or (HGNC:8976 and HGNC:8979) or (HGNC:8976 and HGNC:8980) or (HGNC:8976 and HGNC:8981) or (HGNC:8977 and HGNC:8979) or (HGNC:8977 and HGNC:8980) or (HGNC:8977 and HGNC:8981) NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8972 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30031 or HGNC:8983 or HGNC:8984 NOTES: NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8994 or HGNC:8995 or HGNC:8996 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15917 or HGNC:17175 or HGNC:19218 or HGNC:26462 or HGNC:29037 or HGNC:29185 or HGNC:9055 or HGNC:9056 or HGNC:9059 or HGNC:9060 or HGNC:9061 or HGNC:9062 or HGNC:9063 or HGNC:9065 or HGNC:9066 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15917 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: paf synthesis pathway NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17934 or HGNC:18554 or HGNC:24791 or HGNC:30040 or HGNC:9031 or HGNC:9035 or HGNC:9036 or HGNC:9038 or HGNC:9039 NOTES: phosphatidyl choline degradation NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13414 or HGNC:18554 or HGNC:30040 or HGNC:9029 or HGNC:9030 or HGNC:9031 or HGNC:9033 or HGNC:9038 NOTES: phosphatidyl choline degradation NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8906 or HGNC:9114 or HGNC:9115 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9141 NOTES: peroxisomal version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17269 or HGNC:18360 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17269 or HGNC:17313 or HGNC:18360 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17269 or HGNC:18360 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17269 or HGNC:17313 or HGNC:18360 NOTES: NCD SUBSYSTEM: Inositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: IT SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12705 and HGNC:12706 and HGNC:16431 NOTES: EC 3.5.1- KEGG RXN R02973 RM SUBSYSTEM: CoA catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15894 or HGNC:19365 or HGNC:19366 or HGNC:8598 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15894 NOTES: IT based on In Hoertnagel et al, 2003, Human Mol. genetics, 12(3), 321-327, SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30042 or HGNC:9226 SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: AMF SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:24861 or HGNC:28906 or HGNC:4056 NOTES: IF SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:28883 NOTES: IF SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9228 or HGNC:9229 or HGNC:9230 NOTES: carbonyl and extra H balanced in R group NJ SUBSYSTEM: Triacylglycerol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:395 SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:28107 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8653 and HGNC:8654 NOTES: TV SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21497 or HGNC:21597 or HGNC:30211 or HGNC:87 or HGNC:89 or HGNC:90 or HGNC:91 NOTES: NCD SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: spontaneous cyclization reaction MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:381 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:380 or HGNC:381 or HGNC:389 NOTES: NCD SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8905 or HGNC:8906 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25686 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:5147 SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:9280 NOTES: NCD SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4163 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16753 or HGNC:3423 NOTES: RS/TV (6/3/05) Peroxidases can act on a variety of substrates which are oxidized, not just methanol. SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7218 NOTES: RS/TV (6/3/05) Peroxidases can act on a variety of substrates which are oxidized, not just methanol. SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8863 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11455 or HGNC:11458 or HGNC:11459 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:8546 and HGNC:8548) or (HGNC:8547 and HGNC:8548) NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17325 NOTES: JLR SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:9453 NOTES: JLR SAB m SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or (HGNC:4801 and HGNC:4803) or HGNC:890 NOTES: SAB made up name because name in KEGG seemed wrong. in vitro assay SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 NOTES: SAB made up name because name in KEGG seemed wrong SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9462 or HGNC:9463 or HGNC:9465 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8999 NOTES: modified from TV version for hs NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19129 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9577 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9587 NOTES: phosphatidylcholine as substrate NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15463 NOTES: phosphatidylethanolamine version as substrate NJ SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15919 or HGNC:18431 or HGNC:19748 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18431 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18431 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18431 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9689 NOTES: Formery EC 4.6.1.10; New EC 4.2.3.12 catalyses triphosphate elimination and an intramolecular redox reaction in the presence of Mg2+. It has been identified in human liver. The product is 6-pyruvoyltetrahydrobiopterin SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9689 NOTES: Formery EC 4.6.1.10; New EC 4.2.3.12 catalyses triphosphate elimination and an intramolecular redox reaction in the presence of Mg2+. It has been identified in human liver. The product is 6-pyruvoyltetrahydrobiopterin SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29932 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10540 or HGNC:23160 NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:549 or HGNC:550 or HGNC:80 NOTES: SAB SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferase SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferase SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferase SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferase SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferase SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferase SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7892 NOTES: Specificity not completely determined. Can also catalyse ribosyltransferase reactions of the type catalysed by EC 2.4.2.5, nucleoside ribosyltransferasextsn SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: This reaction takes place in skin and needs UV 290-305. based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.194 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30260 NOTES: NCD IT SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8819 SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:553 NOTES: IT SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8819 SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8819 SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:30259 SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9021 or HGNC:9020 or HGNC:9021 or HGNC:9020 or HGNC:9021 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:15472 or HGNC:402 or HGNC:403 or HGNC:412 or HGNC:877 NOTES: SAB SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:404 or HGNC:406 or HGNC:407 NOTES: SAB SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12576 or HGNC:23061 NOTES: JLR- added reversible form of PYNP2 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: SAB mechanism is unclear non-enzymatic SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4632 or HGNC:4632 or HGNC:4638 or HGNC:4626 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30324 SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:30325 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:30325 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29674 or HGNC:9940 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14423 or HGNC:17964 or HGNC:19975 or HGNC:19977 or HGNC:19978 or HGNC:19979 or HGNC:30311 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9940 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14423 or HGNC:17964 or HGNC:19977 or HGNC:19978 or HGNC:19979 or HGNC:30311 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9940 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17964 or HGNC:19977 or HGNC:19978 or HGNC:19979 or HGNC:30311 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9940 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24887 NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:10451 and HGNC:10452) or HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:10451 and HGNC:10452) or HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10451 and HGNC:10452) or HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:10451 and HGNC:10452) or HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26057 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10293 NOTES: SMP SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10297 NOTES: SMP SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10862 or HGNC:10863 or HGNC:10864 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10866 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10862 or HGNC:10863 or HGNC:10864 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10862 NOTES: NCD SUBSYSTEM: O-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10860 NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17223 NOTES: EC 2.8.2- NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17223 NOTES: EC 2.8.2- NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17223 NOTES: EC 2.8.2- NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5193 NOTES: EC 2.8.2- NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5389 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5389 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5389 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19419 or HGNC:5194 or HGNC:5200 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19419 or HGNC:5195 or HGNC:5200 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5200 or HGNC:5196 or HGNC:5198 or HGNC:14178 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17422 or HGNC:17423 or HGNC:21755 or HGNC:24464 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17422 or HGNC:17423 or HGNC:21755 or HGNC:24464 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17422 or HGNC:17423 or HGNC:21755 or HGNC:24464 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17422 or HGNC:17423 or HGNC:21755 or HGNC:24464 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:714 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:714 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:714 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:714 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:714 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1969 or HGNC:1971 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1969 or HGNC:1971 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13817 or HGNC:1971 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13817 or HGNC:1971 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13817 or HGNC:1971 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13817 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13817 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13817 or HGNC:1971 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19133 or HGNC:19134 or HGNC:5201 NOTES: EC 2.8.2.- NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1969 or HGNC:1971 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1970 or HGNC:1972 or HGNC:1973 or HGNC:6938 NOTES: NCD SUBSYSTEM: Keratan sulfate synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4422 NOTES: NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Chondroitin sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17366 NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17366 NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8603 or HGNC:8604 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:2228 or HGNC:26309 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:26309 NOTES: copied SAB's original NJ SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5028 NOTES: SAB R02155 SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17804 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10536 NOTES: SAB EC # is questionable overall reaction is questionable SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17720 NOTES: NCD SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17720 NOTES: NCD SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11184 NOTES: NCD SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:380 or HGNC:381 or HGNC:389 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10606 NOTES: SCP has two transcripts, second isoform specific to peroxisomes, first is specific for cyt and mit need to double check stoichiometry - reaction cofactors (additional coa + release of prop coa) from BM (Roche) Biochemical Pathways version 2 analog added as per KEGG NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10606 NOTES: SCP has two transcripts, second isoform specific to peroxisomes, first is specific for cyt and mit need to double check stoichiometry - reaction cofactors (additional coa + release of prop coa) from BM (Roche) Biochemical Pathways NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:22204 or HGNC:343 or HGNC:344 NOTES: SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:8603 or HGNC:8604 NOTES: SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:18161 NOTES: SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18161 NOTES: Added based on PMID: 1483038 - pyridoxal 5 phosphate is required, it is not completely clear however if it is also the reduced/oxidized compound NJ SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2501 NOTES: NCD SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1550 NOTES: NCD SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6903 or (HGNC:6904 and HGNC:6905) NOTES: SAB SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19685 or HGNC:19686 NOTES: JLR SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10691 NOTES: MM SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11277 and HGNC:11278 and HGNC:16253 NOTES: NCD SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3465 NOTES: NCD SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10817 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10817 NOTES: SGPL1 gene as per GeneCards states that hexadecanal is produced - the only way to do this and to maintain charge balance would be to have H2 gas as substrate - remarkably implausible. Due to lack of information to indicate otherwise, added water to breakdown components into ethamp and palmitate NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:21328 or HGNC:7759 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: Keratan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4122 and HGNC:4298 and HGNC:7758 and HGNC:9251 NOTES: NCD SUBSYSTEM: N-glycan degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10863 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10872 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11240 or HGNC:18859 NOTES: NCD SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17836 or HGNC:6970 NOTES: AMF EC: 1.1.1.272 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:6971 NOTES: AMF EC: 1.1.1.272 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14240 or HGNC:23764 or HGNC:32949 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11120 or HGNC:14240 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11121 NOTES: reaction details not determined - elucidated from PMID: 9972865, 12069827 NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29799 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11177 NOTES: SOAT11 and SOAT12 are templates, customized rxns can be formed particular ester moieties. NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: SOAT11 and SOAT12 are templates, customized rxns can be formed particular ester moieties. NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11240 or HGNC:18859 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: limited details on mechanism, localization, etc. See PMID: 12069827 NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11296 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11179 NOTES: JLR SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11181 NOTES: JLR SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11180 NOTES: TV (8-15-2003) SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11179 NOTES: JLR SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11179 NOTES: JLR SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11257 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11123 or HGNC:11296 NOTES: NCD SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11257 NOTES: IT SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:341 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11279 NOTES: NCD SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3629 NOTES: This is a lumped reaction: Rxn 1: 2 frdp -> 2 ppi + presqualene diphosphate Rxn 2: presqualene diphosphate + NADPH -> squalene + NADP NCD ER version - NJ SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11284 or HGNC:11285 NOTES: see PMID: 14643063 there are actually two types, but the difference between them lies in optimal pH function - grouped as one reaction at his point to eliminate redundancy. NADP known to be cofactor NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11284 or HGNC:11285 NOTES: there are actually two types, but the difference between them lies in optimal pH function - grouped as one reaction at his point to eliminate redundancy. NADP known to be cofactor NJ. human 5alpha-HSD activity determined in transfected COS cells using C-14 labelled testosterone as substrate SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6059 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:6069 NOTES: SAB seratonin methyltransferase SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10863 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10863 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10863 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10866 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18080 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18080 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10867 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19342 or HGNC:19343 or HGNC:23364 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23364 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10869 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10869 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17827 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17827 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17827 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17827 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17827 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17827 NOTES: NJ SUBSYSTEM: Blood group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11425 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11425 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11425 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11425 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10680 and HGNC:10681 and HGNC:10682 and HGNC:10683 NOTES: NCD. Biochemical, Genetic SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11449 and HGNC:11450 NOTES: IF SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11448 and HGNC:11449 NOTES: MIPS: cofactor ATP IF changed EC from 6.2.1.4 to 6.2.1.5 - NCD SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10856 or HGNC:7043 NOTES: NCD SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803) or HGNC:890 NOTES: SAB SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:3149 or HGNC:3247 NOTES: SAB SUBSYSTEM: Limonene and pinene degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT reaction involved in formation of 4-hydroxybenzoate from tyrosine. SUBSYSTEM: Ubiquinone synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:12442 NOTES: SAB SUBSYSTEM: Stilbene, coumarine and lignin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11559 NOTES: SMP SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: _01-25-05 IT AMF SUBSYSTEM: Thiamine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Nucleotide sugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Nucleotide sugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:20324 NOTES: JLR SUBSYSTEM: Nucleotide sugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: _01-25-05 IT SUBSYSTEM: Thiamine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8646 NOTES: SAB based on PMID 10727395 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: EC 3.1.3.- NCD SUBSYSTEM: Thiamine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18987 NOTES: _01-25-05 IT SUBSYSTEM: Thiamine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10691 or HGNC:30404 NOTES: Previous EC number: 4.2.1.16. New EC number 4.3.1.19. Can't enter this.... SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:26160 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12015 NOTES: NCD SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11834 or HGNC:11835 or HGNC:25313 NOTES: SMP Two reactions for transketolase: TKT1 and TKT2 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11834 or HGNC:11835 or HGNC:25313 NOTES: SMP Two reactions for transketolase: TKT1 and TKT2 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:412 NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11830 or HGNC:11831 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11831 NOTES: TV SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17358 SUBSYSTEM: Thiamine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3148 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: also EC 2.7.6.2 - NCD SUBSYSTEM: Thiamine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12441 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18308 NOTES: MM SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12009 NOTES: SMP. 18840520 - expression data; 18456264 - protein purification; 2579079 - genetic, homology; 999837 - biochemical SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12437 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12437 NOTES: Xia et al, 2003, JBC, 2141-2146 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12437 NOTES: Xia et al, 2003, JBC, 2141-2146 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18155 or HGNC:20667 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:12266 or HGNC:26210 NOTES: IF SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12266 NOTES: JLR SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11453 or HGNC:11455 NOTES: RS/TV (6/14/05) SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12008 or HGNC:20692 NOTES: SAB unlumped version of TRPHYDRO1 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11708 or HGNC:27269 or HGNC:6059 NOTES: NCD SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:549 or HGNC:6833 or HGNC:6834 or HGNC:80 NOTES: SAB SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: This reaction takes place in skin and needs UV 290-305. based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.194 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11455 or HGNC:11458 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11609 NOTES: NJ SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11453 or HGNC:11455 NOTES: TV/RS (6/14/05) SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11782 NOTES: SAB unlumped form based on PMID 10727395 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:12450 or HGNC:12442 NOTES: SAB This reaction is probably supposed to be a polymerization, but the details are not known. SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2719 NOTES: SAB KEGG also says EC 4.1.1.28 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12442 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12442 NOTES: SAB SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:6833 or HGNC:6834 NOTES: SAB also 1.4.3.4 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11573 or HGNC:4432 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11573 or HGNC:4433 NOTES: NCD SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23657 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4116 NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12457 or HGNC:28082 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4116 NOTES: used yeast system to overexpress gene to determine mutant kinetic properties SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:12525 NOTES: JLR SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17729 NOTES: NCD SUBSYSTEM: Nucleotide sugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3356 or HGNC:3357 or HGNC:3358 NOTES: NCD SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:6480 and HGNC:924) or HGNC:925 NOTES: NCD SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12524 NOTES: NJ SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4135 NOTES: NCD SUBSYSTEM: Galactose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:12540 NOTES: bil is taken up by cell - made reversible (actual measurements of deltaG/reversibility not described in literature currently) NJ. rate of estradiol (alpha and beta) glucuronidation by human bilirubin UGT quantified SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12540 or HGNC:12541 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 or HGNC:12547 or HGNC:12554 or HGNC:13479 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 or HGNC:13479 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 NOTES: NJ SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:12541 or HGNC:12535 or HGNC:12539 or HGNC:12530 or HGNC:12540 NOTES: NJ SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 or HGNC:12540 or HGNC:12553 or HGNC:13479 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13479 NOTES: NJ SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18170 NOTES: NCD SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12592 SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12591 NOTES: Acts on a number of porphyrinogens, r0606 SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16297 NOTES: SAB balanced SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26444 SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:3061 NOTES: IT SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12562 or HGNC:14859 or HGNC:15938 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:976 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:977 NOTES: NCD SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: This reaction takes place in skin and needs body temperature based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.194 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.196 IT SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2605 NOTES: based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.196 IT; RE1303M SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10996 or HGNC:10999 NOTES: from uniprot and lit - see human recon lit refs divalent cation requirement - unclear which one, reaction inhibited in the presence of EDTA (may just be MgATP or MgATP) - see Kelley and Vessey Biochimica et Biophysica Acta (1994) 1209: 51-55 temporarily will have H+ balance reaction NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10996 or HGNC:10999 NOTES: from uniprot and lit - see human recon lit refs divalent cation requirement - unclear which one, reaction inhibited in the presence of EDTA (may just be MgATP or MgATP) - see Kelley and Vessey Biochimica et Biophysica Acta (1994) 1209: 51-55 temporarily will have H+ balance reaction NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 NOTES: from uniprot and lit - see human recon lit refs divalent cation requirement - unclear which one, reaction inhibited in the presence of EDTA (may just be MgATP or MgATP) - see Kelley and Vessey Biochimica et Biophysica Acta (1994) 1209: 51-55 temporarily will have H+ balance reaction NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 NOTES: from uniprot and lit - see human recon lit refs divalent cation requirement - unclear which one, reaction inhibited in the presence of EDTA (may just be MgATP or MgATP) - see Kelley and Vessey Biochimica et Biophysica Acta (1994) 1209: 51-55 temporarily will have H+ balance reaction NJ SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12805 NOTES: Acts on a variety of purines and aldehydes. The animal enzyme can be interconverted to EC 1.1.3.22 xanthine oxidase (the oxidase form). IT SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12805 NOTES: IT EC 1.17.3.2. Thought to have a role in conversion of purine to allantoin which may not be relevant in humans SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12805 NOTES: IT (1.17.3.2) SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12839 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15516 or HGNC:15517 NOTES: NCD SUBSYSTEM: Chondroitin synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18985 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:28883 or HGNC:30042 or HGNC:9226 NOTES: IT - fixed proton SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1516 SUBSYSTEM: ROS detoxification $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4878 and HGNC:4879 and HGNC:7056 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17345 or (HGNC:2295 and HGNC:3976 and HGNC:3999) or HGNC:2295 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4623 NOTES: IT - fixed proton SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4623 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12437 or HGNC:18155 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29932 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15769 or HGNC:17144 or HGNC:17818 or HGNC:17820 or HGNC:17819 or HGNC:38831 or HGNC:8021 or HGNC:8022 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:626 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT added 2 protons (are there really 2 protons produced?) SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15814 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:406 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18062 or HGNC:4552 SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5382 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5383 or (HGNC:5384 and HGNC:5385 and HGNC:5386) SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5382 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29878 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29878 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3356 or HGNC:3358 SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15814 or HGNC:16091 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23657 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6176 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9020 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20123 SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4250 or HGNC:4251 or HGNC:4260 or HGNC:26891 or HGNC:4259 or HGNC:16437 or HGNC:18596 or HGNC:33426 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4250 or HGNC:4251 or HGNC:4260 or HGNC:26891 or HGNC:4259 or HGNC:16437 or HGNC:18596 or HGNC:33426 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11460 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9020 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:341 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8124 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9020 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6176 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3629 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6535 or HGNC:6541 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:408 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14404 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2501 SUBSYSTEM: Cysteine Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:396 or HGNC:397 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4455 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22923 or HGNC:22932 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1550 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15814 or HGNC:16091 or HGNC:24723 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15814 or HGNC:16091 or HGNC:24723 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2861 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20910 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:438 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:380 or HGNC:381 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:380 or HGNC:381 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9020 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29268 SUBSYSTEM: beta-Alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:83 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4313 and HGNC:473 and HGNC:2898 and HGNC:4208 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4378 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:19748 or HGNC:24157 or HGNC:33128 or HGNC:9325 or HGNC:9326 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19691 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 or HGNC:88 or HGNC:89 or HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:117 or HGNC:118 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15814 or HGNC:16091 or HGNC:24723 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15814 or HGNC:16091 or HGNC:24723 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24247 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24247 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20091 or HGNC:361 or HGNC:362 or HGNC:363 or HGNC:365 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4195 or HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4195 or HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4922 or HGNC:4923 or HGNC:4925 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2704 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4298 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:8806 and HGNC:8808) or HGNC:8807 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8124 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:32393 and HGNC:986 and HGNC:987 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:32393 and HGNC:986 and HGNC:987 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30260 SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30260 SUBSYSTEM: Vitamin B6 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10856 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30450 or HGNC:9755 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:404 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:404 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12805 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12805 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9752 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8582 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11257 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12008 or HGNC:20692 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:414 or HGNC:417 or HGNC:418 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8876 or HGNC:8877 or HGNC:8878 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6176 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9020 SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5382 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5383 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5382 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5384 and HGNC:5385 and HGNC:5386 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:117 or HGNC:118 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2328 and HGNC:2330 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2328 and HGNC:2330 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2330 or HGNC:2342 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2342 or HGNC:2366 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17929 SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8124 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5007 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:404 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29268 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10451 and HGNC:10452 and HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10451 and HGNC:10452 and HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10451 and HGNC:10452 and HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10451 and HGNC:10452 and HGNC:17296 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24860 or HGNC:3363 or HGNC:3365 SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12805 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12805 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10571 or HGNC:21088 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10571 or HGNC:21088 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2861 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:396 or HGNC:397 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:473 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7437 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17366 SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10817 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23506 SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4189 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 SUBSYSTEM: Phenylalanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:405 or HGNC:409 or HGNC:410 or HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:404 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: Glutamate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:877 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:877 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2896 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2911 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2911 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:553 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:90 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:21705 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8906 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10999 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3629 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15894 or HGNC:19365 or HGNC:19366 or HGNC:8598 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15894 or HGNC:19365 or HGNC:19366 or HGNC:8598 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:438 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29932 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3356 or HGNC:3358 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:877 SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12388 or HGNC:7223 SUBSYSTEM: Cysteine Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4908 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:91 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2698 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8876 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:28107 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17325 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17325 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30262 or HGNC:9721 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30262 or HGNC:9721 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8124 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4296 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19691 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:83 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2366 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19691 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4803 and HGNC:82) or (HGNC:4803 and HGNC:83) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4250 or HGNC:4251 or HGNC:4260 or HGNC:26891 or HGNC:4259 or HGNC:16437 or HGNC:18596 or HGNC:33426 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:404 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:404 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:553 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4250 or HGNC:4251 or HGNC:4260 or HGNC:26891 or HGNC:4259 or HGNC:16437 or HGNC:18596 or HGNC:33426 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4250 or HGNC:4251 or HGNC:4260 or HGNC:26891 or HGNC:4259 or HGNC:16437 or HGNC:18596 or HGNC:33426 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10999 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10999 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19691 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4803 and HGNC:82) or (HGNC:4803 and HGNC:83) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6186 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2698 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803) or HGNC:3151 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4163 SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18290 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:32393 and HGNC:986 and HGNC:987 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:25686 SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18324 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11257 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15894 or HGNC:19365 or HGNC:19366 or HGNC:8598 SUBSYSTEM: CoA catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15894 or HGNC:19365 or HGNC:19366 or HGNC:8598 SUBSYSTEM: CoA catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:406 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:121 or HGNC:119 NOTES: RE1814X SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:438 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 and HGNC:4799 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:83 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 and HGNC:4799 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:4803 and HGNC:82) or (HGNC:4803 and HGNC:83) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:19691 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4298 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:249 and HGNC:250 and HGNC:251) or HGNC:252 or HGNC:253 or HGNC:255 or HGNC:256 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - HepatoNet mapping of HC01455 to dhochoylcoa was wrong, xoltetrol is correct mapping. Therefore, r0742 is identical to P45027A11m and r0741 is cytosol version of P45027A11m SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5213 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5213 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:387 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:387 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:411 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:407 or HGNC:412 or HGNC:877 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12591 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4193 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4908 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2649 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12390 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2859 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10817 SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17720 or HGNC:19953 or HGNC:9228 or HGNC:9229 or HGNC:9230 SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18281 or HGNC:19691 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7436 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5215 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2698 and HGNC:2898 and HGNC:986 and HGNC:987 SUBSYSTEM: Propanoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12562 or HGNC:14859 or HGNC:15938 SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1848 or HGNC:6617 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:26063 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3594 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17432 or HGNC:1936 SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:253 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2859 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3824 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4248 SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Nucleotide interconversion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:321 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:321 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4298 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1368 or HGNC:1371 or HGNC:1372 or HGNC:1373 or HGNC:1375 or HGNC:1380 or HGNC:1381 or HGNC:1382 or HGNC:1383 or HGNC:14914 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10451 and HGNC:10452 and HGNC:17296 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10451 and HGNC:10452 and HGNC:17296 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 and HGNC:3247 and HGNC:4801 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:3247 and HGNC:4799 and HGNC:5213) or (HGNC:3247 and HGNC:4800 and HGNC:5213) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:83 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:24174 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - BiGG equivalent to C04308 is ptd2meeta_SC which has a yeast specific formula SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8830 NOTES: IT - BiGG equivalent to C04308 is ptd2meeta_SC which has a yeast specific formula SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8830 NOTES: IT - BiGG equivalent to C04308 is ptd2meeta_SC which has a yeast specific formula SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:380 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7852 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7849 or HGNC:7850 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17296 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:4801 or HGNC:4803 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - corrected h[r] SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14418 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:550 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:550 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:550 NOTES: IT - 12dgr120 refers to 1,2-Diacyl-sn-glycerol (didodecanoyl, n-C12:0) SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12015 or HGNC:16753 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6678 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16753 or HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:550 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:550 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24474 or HGNC:8646 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11455 or HGNC:14903 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30502 or HGNC:474 or HGNC:475 or HGNC:476 or HGNC:477 or HGNC:478 SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30502 or HGNC:474 or HGNC:475 or HGNC:476 or HGNC:477 or HGNC:478 SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30502 or HGNC:474 or HGNC:475 or HGNC:476 or HGNC:477 or HGNC:478 SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30502 or HGNC:474 or HGNC:475 or HGNC:476 or HGNC:477 or HGNC:478 SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30502 or HGNC:474 or HGNC:475 or HGNC:476 or HGNC:477 or HGNC:478 SUBSYSTEM: Starch and sucrose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12015 or HGNC:16753 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6678 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16753 or HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16058 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2597 and HGNC:9208 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2593 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2597 and HGNC:9208 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2593 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1564 NOTES: IT - removed H[c] on right hand side SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17929 or HGNC:33238 NOTES: IT - fixed proton SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2602 SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2602 SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2602 SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2602 SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8994 or HGNC:8995 or HGNC:8996 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fructose and mannose metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11831 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20837 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20837 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20837 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:2703 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2640 and HGNC:9208) SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2640 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2637 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12388 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24474 or HGNC:8646 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16354 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5217 or HGNC:5218 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18324 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2640 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2640 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2640 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2640 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:33128 or HGNC:33159 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10606 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 NOTES: IT - removed 4 h[c] from compEHMN reaction as they were not necessary SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - removed 1 h[c] from compEHMN reaction as they were not necessary SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 NOTES: IT - removed 4 h[c] from compEHMN reaction even though not charged formula for EHMN metabolites available but same enzyme and same overall mechanism as in RE1845C SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2158 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2603 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2596 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2596 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20581 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20581 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20581 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:20581 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Lipoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8994 or HGNC:8995 or HGNC:8996 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23786 or HGNC:8997 or HGNC:8998 NOTES: IT - fixed proton SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9604 or HGNC:9605 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9228 or HGNC:9229 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9229 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9229 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13734 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2651 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13734 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2600 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2638 and HGNC:9208) or (HGNC:2637 and HGNC:9208) SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2097 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15722 or HGNC:17245 or HGNC:2296 or HGNC:2297 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2073 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15722 or HGNC:17245 or HGNC:2296 or HGNC:2297 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12019 or HGNC:14118 or HGNC:14120 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:30748 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1564 NOTES: IT - removed H[c] on right hand side even though no charged formula for Kegg compound but same as reaction RE1233C SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17929 NOTES: IT - fixed proton SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18704 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2860 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13734 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13734 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13734 SUBSYSTEM: Glycine, serine, alanine and threonine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 or HGNC:2707 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13557 or HGNC:2707 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6936 or HGNC:6937 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6936 or HGNC:6937 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Lipoate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2615 and HGNC:9208) or (HGNC:2631 and HGNC:9208) or (HGNC:2637 and HGNC:9208) or (HGNC:2640 and HGNC:9208) or (HGNC:2646 and HGNC:9208) SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2637 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12015 or HGNC:16753 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6678 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16753 or HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12015 or HGNC:16753 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6678 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16753 or HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7218 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6344 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6344 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4696 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:451 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:451 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2640 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10999 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2653 and HGNC:9208 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:177 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Alanine and aspartate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24104 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24474 or HGNC:8646 SUBSYSTEM: Tetrahydrobiopterin metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:929 SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Sphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12555 or HGNC:929 NOTES: IT - fixed proton SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4115 SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11455 or HGNC:24240 SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24240 SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11455 or HGNC:24240 SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:24240 SUBSYSTEM: Glycosphingolipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:451 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5212 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2597 and HGNC:9208 SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12015 or HGNC:16753 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6678 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7218 SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin C metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4799 or HGNC:4800 or (HGNC:4801 and HGNC:4803) SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:89 or HGNC:88 or HGNC:92 or HGNC:21497 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:89 or HGNC:88 or HGNC:92 or HGNC:21497 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:89 or HGNC:88 or HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9021 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8983 or HGNC:8984 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8983 or HGNC:8984 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8983 or HGNC:8984 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8971 or HGNC:8972 or HGNC:8973 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8971 or HGNC:8972 or HGNC:8973 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8994 or HGNC:8995 or HGNC:8996 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:23786 or HGNC:8997 or HGNC:8998 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2602 SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:2703 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2754 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:2703 or HGNC:3149 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:3149 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2754 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:2703 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3149 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2753 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:2703 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11455 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16354 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:405 or HGNC:412 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:404 or HGNC:407 or HGNC:877 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:405 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2615 and HGNC:9208) or (HGNC:2640 and HGNC:9208) SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:429 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin A metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8940 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:17856 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:451 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12015 or HGNC:16753 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16753 or HGNC:7218 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5217 or HGNC:5218 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:5217 or HGNC:5218 SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11863 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11863 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3133 SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2602 SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:4801 or HGNC:4803 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:4801 or HGNC:4803 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:4801 or HGNC:4803 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 or HGNC:89 or HGNC:91 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 or HGNC:89 or HGNC:91 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:88 or HGNC:89 or HGNC:91 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:451 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11425 NOTES: IT - fixed proton SUBSYSTEM: Androgen and estrogen synthesis and metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12442 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12442 SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14415 or HGNC:14416 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14416 or HGNC:14418 or HGNC:15829 or HGNC:21308 SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Fatty acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2605 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12537 or HGNC:12538 or HGNC:12539 or HGNC:12541 or HGNC:12544 or HGNC:12545 or HGNC:12546 or HGNC:12547 or HGNC:12553 or HGNC:12554 or HGNC:13479 SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7450 or HGNC:7451 NOTES: Recin 1 had irreversible version - PI35P3P - GPR from PI35P3P was added - May 2011 IT SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9068 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9067 NOTES: IT - changed to 1 h[c] SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9067 SUBSYSTEM: Phosphatidylinositol phosphate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2615 and HGNC:9208) or (HGNC:2631 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2615 and HGNC:9208) or (HGNC:2631 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2615 and HGNC:9208) or (HGNC:2631 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9068 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9067 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9067 SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:987 SUBSYSTEM: Valine, leucine, and isoleucine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4800 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4800 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:405 or HGNC:412 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:404 or HGNC:407 or HGNC:877 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:403 or HGNC:405 SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:550 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:80 SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6344 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:6344 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4696 SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2753 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2753 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2753 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2753 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Linoleate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2645 or HGNC:2646 or HGNC:26820 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2645 or HGNC:2646 or HGNC:26820 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2645 or HGNC:2646 or HGNC:26820 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4800 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9604 or HGNC:9605 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9604 or HGNC:9605 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9605 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16049 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - BiGG equivalent to C04308 is ptd2meeta_SC which has a yeast specific formula SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8830 NOTES: IT - BiGG equivalent to C04308 is ptd2meeta_SC which has a yeast specific formula SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:8830 NOTES: IT - BiGG equivalent to C04308 is ptd2meeta_SC which has a yeast specific formula SUBSYSTEM: Glycerophospholipid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:435 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Miscellaneous $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2645 or HGNC:2646 or HGNC:26820 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2615 and HGNC:9208) or (HGNC:2646 and HGNC:9208) or (HGNC:26820 and HGNC:9208) SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:429 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:429 SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Arachidonic acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16906 or HGNC:4643 or HGNC:7061 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:7061 or HGNC:7063 or HGNC:7064 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4801 or HGNC:4803 or HGNC:83 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:33128 or HGNC:33159 or HGNC:932 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18431 or HGNC:24157 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3151 or HGNC:3247 or HGNC:4801 or HGNC:4803 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4800 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:4799 or HGNC:4800 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9604 or HGNC:9605 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 or HGNC:5213 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:82 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10996 or HGNC:16496 or HGNC:16526 or HGNC:3569 or HGNC:3570 or HGNC:3571 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2754 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3247 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 or HGNC:932 NOTES: IT - fixed proton SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16049 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1548 or HGNC:1549 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:16985 SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:119 or HGNC:120 or HGNC:121 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Histidine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Vitamin E metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3769 or HGNC:3770 or HGNC:3771 or HGNC:3772 or HGNC:3773 SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: IT - fixed proton SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Tyrosine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13265 or HGNC:15654 or HGNC:17450 or HGNC:18857 or HGNC:20244 or HGNC:20583 or HGNC:2594 or HGNC:2595 or HGNC:2596 or HGNC:2597 or HGNC:2608 or HGNC:2610 or HGNC:2611 or HGNC:2615 or HGNC:2620 or HGNC:2622 or HGNC:2623 or HGNC:2625 or HGNC:2631 or HGNC:2632 or HGNC:2634 or HGNC:2637 or HGNC:2638 or HGNC:2640 or HGNC:2644 or HGNC:2648 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2640 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3401 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:3402 SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:17449 and HGNC:9208) or (HGNC:2593 and HGNC:9208) or (HGNC:2595 and HGNC:9208) or (HGNC:2640 and HGNC:9208) or (HGNC:2652 and HGNC:9208) SUBSYSTEM: Xenobiotics metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5212 NOTES: Human kidney cell line used and Km/Vmax quantified SUBSYSTEM: Steroid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: dicarboxylic coa synthetase, origin and gene not known SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2366 NOTES: alternatively peroxisomal carnitine O-octanoyltransferase may convert adipoyl coa into adipoyl carnitine and excreted out. Thioesterases and CRAT/CROT show same substrate specificty and similar Vmax and Km values, however author suggested there is no competition as they are expressed differentially in different tissues. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15919 NOTES: human peroxisomal thioesterases are ACOT-4 and ACOT-8. ACOT 4 is specific for C4DC and C5DC, where as ACOT-8 catalyzes wide range of substrates. One proton added to the product for balancing SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15919 NOTES: human peroxisomal thioesterases are ACOT-4 and ACOT-8. ACOT 4 is specific for C4DC and C5DC, where as ACOT-8 catalyzes wide range of substrates. One proton added to the product for balancing SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: dicarboxylic coa synthetase, origin and gene not known SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: molecular genetics and metabolism,Volume 85, Issue 2, June 2005, Pages 108-114 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 NOTES: CPT-2 reaction SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2366 NOTES: crot shows activity for C6 to C10 fatty acylcoa, however some amont of activity for short chain fattyacylcoa also. The exit from peroxisomes can also be at the hexanoylcoa stage which is more frequently observed.however some levels of activity is also seen at the bytyrylcoa stage. SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2366 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:24174 or HGNC:29567 NOTES: cytosolic long chain acyl coA synthatases, also found in E.R. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 or HGNC:89 NOTES: acyl coA dehydrogenase enzyme catalyzes this reaction in mitochondria.first step of beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: peroxisomal acyl coA oxidase reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 NOTES: 2,4-dienoyl coA reductase catalyzes this reaction in mitochondria. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2754 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: peroxisomal acyl coA oxidase reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2754 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: ? PMID: 1730577. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:121 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: In Recon 1, the neutral formula for dmnoncoa should be corrected to C32H56N7O17P3S (HMDB11604) and charged formula to C32H52N7O17P3S with -4 as the charge. Therefore the reaction appears unbalanced here. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 and HGNC:89 NOTES: mitochondrial beta oxidation of odd chain fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 and HGNC:89 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 NOTES: one cycle of beta oxidation occurs in mitochondria SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: delta3-cis/trans-->delta2-trans-enoyl coA isomerase enzyme catalyzes this reaction in mitochondria. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta-3-cis-delta2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:89 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: elevated in urine in C-12 dicarboxylic aciduria SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2366 NOTES: alternatively peroxisomal carnitine O-octanoyltransferase may convert adipoyl coa into adipoyl carnitine and excreted out. Thioesterases and CRAT/CROT show same substrate specificty and similar Vmax and Km values, however author suggested there is no competition as they are expressed differentially in different tissues. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:121 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation of odd chain fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: as a C3DC.HMDB02095,PMID: 12651823 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 NOTES: PMID:11591435 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:121 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation of odd chain fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17856 and HGNC:403 NOTES: PMID: 11356164-alpha oxidation of phytanic acid in peroxisome.pristanic acid is then activated and undergoes two cycles of beta oxidation to produce 3 acetyl coA,3 propionyl coA and dimethyl nonoyl coA. This reaction can use either nadp/nad. One molecule of water at the reactant side and one proton to the product side have been added for elemental balancing. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17856 and HGNC:403 NOTES: PMID: 11356164-alpha oxidation of phytanic acid in peroxisome.pristanic acid is then activated and undergoes two cycles of beta oxidation to produce 3 acetyl coA,3 propionyl coA and dimethyl nonoyl coA. This reaction can use either nadp/nad. One molecule of water at the reactant side and one proton to the product side have been added for elemental balancing. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: peroxisomal acyl coA oxidase reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 NOTES: beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2754 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:92 NOTES: acyl coA dehydrogenase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: peroxisomal acyl coA oxidase reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis- delta2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2754 NOTES: delta-2,4-dienoyl coA reductase reaction SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: to acetyl coA and accumulates and then combines with free carnitine and ultimately excreated in urine SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:16526 NOTES: the enzyme is not yet charecterized at the molecular level.this evidence taken from mouse experiment. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2645 and HGNC:2646 NOTES: PMID: 9827430-this reaction is omega oxidation of palmitic acid occuring in the microsomes.the dicarboxylic acid in then transported to peroxisomes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: "the dehydrogenase action can also be catalyzed by ACAD9 gene(Biochemical and Biophysical Research Communications,Volume 297, Issue 4, 4 October 2002, Pages 1033-1042)." SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 NOTES: beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisoaml beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:92 NOTES: PMID: 11751554 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: one cycle of peroxisomal beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: peroxisomal acyl coA oxidase reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: one cycle of beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: one cycle of peroxisomal beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:92 NOTES: acyl coA dehydrogenase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 NOTES: peroxisomal acyl coA oxidase reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: one cycle of beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2754 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:92 NOTES: acyl coA dehydrogenase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: one cycle of peroxisomal beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2645 and HGNC:2646 NOTES: for the production of dicarboxylic acids.PMID: 15716582,PMID: 19783438. one proton was added to the product for elemental and charge balancing. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2645 and HGNC:2646 NOTES: omega oxidation of docosanoic acid in rat liver microsomes,showing two possible pathways SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:5213) or (HGNC:119 and HGNC:5213 and HGNC:82) NOTES: one cycle of peroxisomal beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: one cycle of beta oxidation.this occurs in peroxisomes.the peroxisomal multifunctional enzyme acts as a catalyst for the formation of ketoacyl intermediates. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: due to deficiency of malonyl coA decarboxylase enzyme,malonyl coA cannot be converted back SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 and HGNC:90 NOTES: mitochondrial beta oxidation of odd chain fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: 1.2.4.2 is the E.C no.due to the absence of glutaryl coA dehydrogenase, glutaryl coA accumulates and combines with free carnitine forming glutaryl carnitine.C5DC then excreated in urine. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: alpha keto acid decarboxylase catalyzes leucine degradation, due to the absence of the next enzyme i.e acyl coA dehydrogenase isovaleryl coA accumulates and combines with free carnitine forming C5OH fattyl acyl carnitine.HMDB00754 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 NOTES: deficiency of 3-methylcrotonylcoa carboxylase.clinica chimica acta 240 (1995) 35-51 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction.the butyryl coA is then transported to mitochondria, where it is further oxidized. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14601 or HGNC:3247 NOTES: delta3-cis->delta 2-trans isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 and HGNC:89 NOTES: mitochondrial beta oxidation of odd chain fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 and HGNC:89 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation reaction. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: First cycle of mitochondrial beta oxidation. The mitochondrial acylcoA dehydrogenases cannot act on branched chain fatty acids so no GPR association could be found for this reaction. Recon 1 mentions ACADM gene with this reaction. In Recon 1, the neutral formula for dmnoncoa should be corrected to C32H56N7O17P3S (HMDB11604) and charged formula to C32H52N7O17P3S with -4 as the charge. Therefore the reaction appears unbalanced here. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 and HGNC:89 NOTES: mitochondrial beta oxidation of odd chain fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2645 and HGNC:2646 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:253 and HGNC:403 NOTES: undergoes series of beta oxidation cycles to generate C8DC,C6DC,C4DC and acetate. The extra one proton was obtained in the product, from the aldehyde form of the omega-hydroxy palmitic acid (i.e. An intermediate not shown in this reaction). This was done in-order to balance the reaction and also to obtain the dicarboxylic form of the palmitic acid. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:253 and HGNC:403 NOTES: one proton was added to the product for elemental and charge balancing. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:253 and HGNC:403 NOTES: The extra one proton was obtained in the product, from the aldehyde form of the omega-hydroxy decanoic acid (i.e. An intermediate not shown in this reaction). This was done in-order to balance the reaction and also to obtain the dicarboxylic form of the decanoic acid. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:89 NOTES: first cycle of mitochondrial beta oxidation. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2753 NOTES: 2,4-dienoyl coA reductase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3151 and HGNC:4799 and HGNC:83 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2703 NOTES: cis-delta3->trans-delta2 isomerase SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 NOTES: mitochondrial beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: peroxisomal beta oxidation SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18540 or HGNC:2328 or HGNC:2329 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2330 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15919 NOTES: human peroxisomal thioesterases are ACOT-4 and ACOT-8. ACOT 4 is specific for C4DC and C5DC, where as ACOT-8 catalyzes wide range of substrates. One proton added to the product for balancing SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: dicarboxylic coa synthetase, origin and gene not known SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2366 NOTES: alternatively peroxisomal carnitine O-octanoyltransferase may convert adipoyl coa into adipoyl carnitine and excreted out. Thioesterases and CRAT/CROT show same substrate specificty and similar Vmax and Km values, however author suggested there is no competition as they are expressed differentially in different tissues. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15919 NOTES: human peroxisomal thioesterases are ACOT-4 and ACOT-8. ACOT 4 is specific for C4DC and C5DC, where as ACOT-8 catalyzes wide range of substrates. One proton added to the product for balancing SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2366 NOTES: alternatively peroxisomal carnitine O-octanoyltransferase may convert adipoyl coa into adipoyl carnitine and excreted out. Thioesterases and CRAT/CROT show same substrate specificty and similar Vmax and Km values, however author suggested there is no competition as they are expressed differentially in different tissues. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: dicarboxylic coa synthetase, origin and gene not known SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: dicarboxylic coa synthetase, origin and gene not known SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2366 NOTES: alternatively peroxisomal carnitine O-octanoyltransferase may convert adipoyl coa into adipoyl carnitine and excreted out. Thioesterases and CRAT/CROT show same substrate specificty and similar Vmax and Km values, however author suggested there is no competition as they are expressed differentially in different tissues. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15919 or HGNC:19748 NOTES: human peroxisomal thioesterases are ACOT-4 and ACOT-8. ACOT 4 is specific for C4DC and C5DC, where as ACOT-8 catalyzes wide range of substrates. One proton added to the product for balancing SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20675 or HGNC:24437 NOTES: Dipeptides and tripeptides enter the brush border of the intestinal mucosal cells, where they are hydrolyzed to free amino acids, which are then transported into hepatic portal vein. Peptides entering by transcellular or paracellular mechanisms elicit allergic reactions to food (Robert K. Murray, David A. Bender, Kathleen M. Botham, Peter J. kennelly, Victor W. Rodwell, P. Anthony Weil (2009) 28th edition, Harpers illustrated biochemistry,Mc Graw Hill, page 462). formation and hydrolysis of diglycine is a reversible process (David L. Nelson, Michael M. Cox, Lehniniger principles of biochemistry (2000), 3rd edition, worth publishers,page 69, figure 3a). CN1 is expressed in brain where as CN2 is more ubiquitously expressed (PMID: 12473676). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: oxidized beta glucan forms binds the bile acids more effectively. beta glucan binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: oxidized beta glucan forms binds the bile acids more effectively. beta glucan binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: oxidized beta glucan forms binds the bile acids more effectively. beta glucan binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20675 or HGNC:24437 NOTES: Dipeptides and tripeptides enter the brush border of the intestinal mucosal cells, where they are hydrolyzed to free amino acids, which are then transported into hepatic portal vein. Peptides entering by transcellular or paracellular mechanisms elicit allergic reactions to food (Robert K. Murray, David A. Bender, Kathleen M. Botham, Peter J. kennelly, Victor W. Rodwell, P. Anthony Weil (2009) 28th edition, Harpers illustrated biochemistry,Mc Graw Hill, page 462). formation and hydrolysis of diglycine is a reversible process (David L. Nelson, Michael M. Cox, Lehniniger principles of biochemistry (2000), 3rd edition, worth publishers,page 69, figure 3a). CN1 is expressed in brain where as CN2 is more ubiquitously expressed (PMID: 12473676). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:24437 or HGNC:3002 NOTES: BRENDA also lists beta-Ala-His dipeptidase (E.C. 3.4.13.20) as another enzyme catalyzing this reaction, but no literature evidence found. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8840 NOTES: prolidase 1 and 2 both have same E.C. Numbers, prolidase 1 has a substrate preference for glycylproline where as prolidase 2 catalyzes very slowly this reaction (PMID: 14580160). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2073 NOTES: glycine-sarcosine is resistant to hydrolysis and the only enzyme to catalyze hydrolysis is prolidase in rabbit intestine (PMID:6746633). Further glycine-sarcosine and glycylalanine have been assumed to have a common transport system. It may also remain intact (PMID: 3293467). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: guar gum binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: guar gum binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: guar gum binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18449 NOTES: both pig(E.C. 3.4.11.5) and human (3.4.11.1) amino peptidase have similar amino acid sequence and catalytic properties (PMID: 1908238) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: pectin binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). pectin also binds more effeciently cholic acid. one proton added to reactants for elemental balancing. SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: pectin binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). pectin also binds more effeciently cholic acid. one proton added to reactants for elemental balancing. SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: pectin binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). pectin also binds more effeciently cholic acid. one proton added to reactants for elemental balancing. SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8840 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: psyllium consists of two parts- arabinoxylan, which is a hemi-cellulose and beta-sitosterol. Psyllium binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: psyllium consists of two parts- arabinoxylan, which is a hemi-cellulose and beta-sitosterol. Psyllium binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: psyllium consists of two parts- arabinoxylan, which is a hemi-cellulose and beta-sitosterol. Psyllium binds bile acids and leads to enhanced excretion, there by the 7-alpha hydroxylase pathway is activated laeding to increased cholesterol catabolism for synthesis of more bile acids (regulates cholesterol metabolism). however the decreased serum cholesterol levels are brought about by many other cumulative effects (water unstirred action of dieatary fibres, glycemic role etc) (PMID: 18302966, Gunness P, Gidley MJ. (2010). Food & Function 1: 149-55). Deoxycholic acid is a secondary bile salt formed by deconjugation and further 7-alpha-dehydroxylation by the bacterial action in the gut (Harpers illustrated biochemistry, 28th edition, page 228-231.). Taurodeoxy-cholic acid may be formed by the conjugation of taurine with deoxycholic acid (no evidence found for suc hreaction but the metabolite Taurodeoxycholic acid has been estimated in human blood and bile in trave amounts (HMDB00896)). SUBSYSTEM: Dietary fiber binding $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2606 NOTES: intestine has been shown to be aonther extra renal site for Vit D production. Vit D has potential to check malignancies in the caco-2 cells. 25-hydroxy D3 can also undergo oxidation to produce 1,23 di-hydroxyD3. subcellular localization is mentioned as both mitochondrial and cytosolic. 1,25-dihydroxy-vitamin D helps in maintaining normal epithemium, proliferation and growth and prevents colon cancer (PMID: 19667168, PMID: 14585316). SUBSYSTEM: Vitamin D metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:12540 NOTES: production of bilirubin-di-glucuronide in the enterocyte. It is then released into the lumen. SUBSYSTEM: Heme degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11177 or HGNC:11178 NOTES: re-formation of cholesterol ester within enterocytes, then exit in chylomicrons into the lymph. SUBSYSTEM: Cholesterol metabolism $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:6617 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7529 NOTES: Enterocytes stand next to liver in endogenous cholesterol synthesis. in rats they provide 25% of bodys cholesterol. the crypt epithelial cells synthesize maximum cholesterol when compared to other parts of the GI tract (PMCID: PMC292609). Reactions till farnesyl pyrophosphate operates in cytosol, however, further steps including squalene synthase operates in E.R (Harpers illustrated Biochemistry (2009) 28th edition, Lange medical publications, chapter 26, page 224-227). all the cholesterol synthesis enzymes have also been found in peroxisomes (PMID: 12121718), no evidence for enterocyte sub-cellular sites, so cytosolic reactions have been added according to Harper book. one proton added t product for elemental balancing. SUBSYSTEM: Squalene and cholesterol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2859 NOTES: Enterocytes stand next to liver in endogenous cholesterol synthesis. in rats they provide 25% of bodys cholesterol. the crypt epithelial cells synthesize maximum cholesterol when compared to other parts of the GI tract (PMCID: PMC292609). Reactions till farnesyl pyrophosphate operates in cytosol, however, further steps including squalene synthase operates in E.R (Harpers illustrated Biochemistry (2009) 28th edition, Lange medical publications, chapter 26, page 224-227). all the cholesterol synthesis enzymes have also been found in peroxisomes (PMID: 12121718), no evidence for enterocyte sub-cellular sites, so cytosolic reactions have been added according to Harper book. SUBSYSTEM: Squalene and cholesterol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3061 SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: SUBSYSTEM: Pyrimidine catabolism $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:3356 SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:3481 and HGNC:3482 and HGNC:3483) or (HGNC:3481 and HGNC:3482) SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4866 SUBSYSTEM: Vitamin B2 metabolism $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:122 or HGNC:437 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: most probable reaction. added during gap filling. SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:8891 NOTES: coefficient changed to 3 SUBSYSTEM: Pentose phosphate pathway $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:5006 NOTES: Enterocytes stand next to liver in endogenous cholesterol synthesis. in rats they provide 25% of bodys cholesterol. the crypt epithelial cells synthesize maximum cholesterol when compared to other parts of the GI tract (PMCID: PMC292609). enzyme is located in E.R. but has catalytic site facing the cytosol (D.S. Sheriff (2004) Medical biochemistry, 1st edition Jaypee brothers Medical publishers pvt ltd page 502). SUBSYSTEM: Squalene and cholesterol synthesis $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Purine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:23487 or HGNC:5387 NOTES: Enterocytes stand next to liver in endogenous cholesterol synthesis. in rats they provide 25% of bodys cholesterol. the crypt epithelial cells synthesize maximum cholesterol when compared to other parts of the GI tract (PMCID: PMC292609). Reactions till farnesyl pyrophosphate operates in cytosol, however, further steps including squalene synthase operates in E.R (Harpers illustrated Biochemistry (2009) 28th edition, Lange medical publications, chapter 26, page 224-227). all the cholesterol synthesis enzymes have also been found in peroxisomes (PMID: 12121718), no evidence for enterocyte sub-cellular sites, so cytosolic reactions have been added according to Harper book. SUBSYSTEM: Squalene and cholesterol synthesis $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: CoA catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: most probable reaction. added during gap filling. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: added during gap filling. Assumption that such a reaction can exist. Mamalian peroxisome do not contain malate dehydrogenase. SUBSYSTEM: Citric acid cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7530 NOTES: Enterocytes stand next to liver in endogenous cholesterol synthesis. in rats they provide 25% of bodys cholesterol. the crypt epithelial cells synthesize maximum cholesterol when compared to other parts of the GI tract (PMCID: PMC292609). Reactions till farnesyl pyrophosphate operates in cytosol, however, further steps including squalene synthase operates in E.R (Harpers illustrated Biochemistry (2009) 28th edition, Lange medical publications, chapter 26, page 224-227). all the cholesterol synthesis enzymes have also been found in peroxisomes (PMID: 12121718), no evidence for enterocyte sub-cellular sites, so cytosolic reactions have been added according to Harper book. SUBSYSTEM: Squalene and cholesterol synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:7436 NOTES: absorbed folate undergoes conversion to 5-methyl-THF within the enterocytes. SUBSYSTEM: Folate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:25846 SUBSYSTEM: Arginine and Proline Metabolism $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: CoA synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9141 NOTES: Enterocytes stand next to liver in endogenous cholesterol synthesis. in rats they provide 25% of bodys cholesterol. the crypt epithelial cells synthesize maximum cholesterol when compared to other parts of the GI tract (PMCID: PMC292609). Reactions till farnesyl pyrophosphate operates in cytosol, however, further steps including squalene synthase operates in E.R (Harpers illustrated Biochemistry (2009) 28th edition, Lange medical publications, chapter 26, page 224-227). all the cholesterol synthesis enzymes have also been found in peroxisomes (PMID: 12121718), no evidence for enterocyte sub-cellular sites, so cytosolic reactions have been added according to Harper book. one proton added to substrate for elemental balancing. SUBSYSTEM: Squalene and cholesterol synthesis $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17325 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: non-enzymatic reaction. Sulfocysteine is excreted in the urine.One proton added for elemental balancing. SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:23287 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:26404 SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: mechanism is unknown IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: mechanism is unknown IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: mechanism is unknown IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD, IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT based on information in Bender, 2003, 2nd Ed., Nutritional Biochemistry of the Vitamins, p. 206 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ. Steriods transported by free diffusion SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: is found in blood --> subsequently has to be transported but how? based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT. Biochemicql SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: is found in blood --> subsequently has to be transported but how? based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2548 and HGNC:4187 and HGNC:6694 NOTES: DBP has higher affinity for 25(OH)D than for D3 (G.F.M. Ball (2006) Vitamins their role in the human body, Blackwell publishing, chapter 8, page 195-196). 25(OH) D binds DBP and is then recruited by magalin and cubilin for further hydroxylation in kidney SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: is found in blood --> subsequently has to be transported but how? based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14411 NOTES: SAB PMID 11083877 SUBSYSTEM: Lysine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10924 or HGNC:10928 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11030 or HGNC:18168 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14411 NOTES: SAB PMID 11083877 SUBSYSTEM: Tryptophan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17027 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: HOW? IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10982 or HGNC:10983 NOTES: PMID:486467 MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ. Biochemical, Rat SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ. Physiological, Rat SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT Reaction correct??? (active transport) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 NOTES: presumed MDR transporter NJ. Physiological SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism - presumed excretion of sulfonated testosterone NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD. Delta-aminolevulinic acid is produced in mitochondria then converted to PBG in the cytoplasm. Could not find anything on the transporter itself. SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10937 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10934 or HGNC:10935 NOTES: SAB This reaction represents the ATP driven secretion of 5htrp from the cell. It leaves out the vesicle because that is not a compartment. ATP:H ratio is assumed as 1:3 for vacuolar ATPase and substrate:h ratio is 1:2. This gives a 3:2 ratio for substrate:ATP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10937 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism. IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism. IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, inactivated testosterone needs to be exported NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, inactivated testosterone transport to get out of cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism. IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism. IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: carrier-mediated transport - but which and how is unknown IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism. IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18761 NOTES: SAB r SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: SAB r, lyso SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11042 or HGNC:11044 or HGNC:11045 or HGNC:11046 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10928 NOTES: originally named AACTP NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 NOTES: IT, TDV changed name from "tm2" to "t2m" - NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:95 NOTES: transport between cytosol and Golgi/ER presumed presumed facilitated transport, but unknown co-substrates, see PMID: 12739170, Hirabayashi et al NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:95 NOTES: transport between cytosol and Golgi/ER presumed presumed facilitated transport, but unknown co-substrates, see PMID: 12739170, Hirabayashi et al NJ changed name from ACCOArt to ACCOAtr for consistency - NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10924 or HGNC:10928 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism - may be vesicular NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10936 NOTES: SAB This reaction represents the ATP driven secretion of ach from the cell. It leaves out the vesicle because that is not a compartment. ATP:H ratio is assumed as 1:3 for vacuolar ATPase and substrate:h ratio is 1:2. This gives a 3:2 ratio for substrate:ATP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10933 NOTES: H symport into lysososome. See PMID: 2768261 and PMID: 10581036 ( for human evidence). Sialic acid storage disorders (due to transporter mutations) require import and export e.g. PMID: 2768266 NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11004 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, presumptive "diffusion" - based on simulation/gap filling NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 or HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11001 or HGNC:11002 or HGNC:16484 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1667 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: most likely NOT physiological - detailed information about the peroxisomal transporters has not yet been achieved - this transport is most likely dependent on a concomitant energy consuming reaction (human ABC peroxisomal transporters: PEX family - check in future for new research articles describing biochemistry and stoichiometry) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10934 or HGNC:10935 NOTES: SAB This reaction represents the ATP driven secretion of adrnl from the cell. It leaves out the vesicle because that is not a compartment. ATP:H ratio is assumed as 1:3 for vacuolar ATPase and substrate:h ratio is 1:2. This gives a 3:2 ratio for substrate:ATP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: for alkly glycerol phosphate reductase (transmembrane rxn) - in homo sapiens glycerolipid metabolism NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 NOTES: for MDR transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 or HGNC:10981 NOTES: TV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14430 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18761 or HGNC:18762 NOTES: ALAt2r rxn in recon 1 needs to be modified for GPR. proton coupled symport transport. PAT2 expressed in kidney, muscles, heart, transports glycine, alanine, proline. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: NCD SAB lyso SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:11057 or HGNC:11060 or HGNC:11061 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or HGNC:14679 or (HGNC:27960 and HGNC:29437) NOTES: tv Mendz pg. 201 Reversibility is unclear. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18044 or HGNC:18070 NOTES: SAB based om PMID 10823827 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20661 NOTES: Added by RS/TV (6/17/05) SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: "diffusion" NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 NOTES: for MDR transport mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, xenobiotic transport (original and metabolized) NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, xenobiotic transport (original and metabolized) NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT Cobalamin is normally bound to a transcobalami (I-III). Uptake is normally via endocytoces (via lysosome). It is thought that the accobal is release from lysosome in unbounded form but references are contradictory. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10999 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, presumed diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: membrane fatty acid transporting protein, transports long chain fatty acids into the cell. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11026 and HGNC:11064 NOTES: SAB see PMID 14770310 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11047 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11057 or HGNC:11060 or HGNC:11061 or HGNC:14679 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10985 or HGNC:22921 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: R group synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10973 or HGNC:10974 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or HGNC:14679 or (HGNC:27960 and HGNC:29437) NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18044 or HGNC:18070 NOTES: SAB based om PMID 10823827 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10939 or HGNC:10940 or HGNC:10941 or HGNC:10944 or HGNC:10945 NOTES: SAB see Kanai and Hediger 2003 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10982 or HGNC:10983 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10939 or HGNC:10940 or HGNC:10941 or HGNC:10944 or HGNC:10945 NOTES: SAB see Kanai and Hediger 2003 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:11647 and HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18125 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18264 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18265 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:13724 and HGNC:16832 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18125 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18264 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18265 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:18481 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:853 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:862 and HGNC:863 and HGNC:866) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:865) or (HGNC:13527 and HGNC:16832 and HGNC:18266 and HGNC:18303 and HGNC:851 and HGNC:854 and HGNC:855 and HGNC:856 and HGNC:857 and HGNC:861 and HGNC:863 and HGNC:864 and HGNC:866) NOTES: RS/DK SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:13213 and HGNC:14247 and HGNC:18799 and HGNC:8016 and HGNC:823 and HGNC:830 and HGNC:833 and HGNC:837 and HGNC:838 and HGNC:840 and HGNC:842 and HGNC:845 and HGNC:846 and HGNC:847 and HGNC:848 and HGNC:850) or (HGNC:14247 and HGNC:8016 and HGNC:823 and HGNC:830 and HGNC:833 and HGNC:837 and HGNC:838 and HGNC:840 and HGNC:841 and HGNC:845 and HGNC:846 and HGNC:847 and HGNC:848) or (HGNC:14247 and HGNC:8016 and HGNC:823 and HGNC:830 and HGNC:833 and HGNC:837 and HGNC:838 and HGNC:840 and HGNC:842 and HGNC:845 and HGNC:846 and HGNC:847 and HGNC:848) or (HGNC:14247 and HGNC:8016 and HGNC:823 and HGNC:830 and HGNC:833 and HGNC:837 and HGNC:838 and HGNC:840 and HGNC:843 and HGNC:845 and HGNC:846 and HGNC:847 and HGNC:848) NOTES: IF TV SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10990 or HGNC:10991 or HGNC:10992 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: most likely NOT physiological - detailed information about the peroxisomal transporters has not yet been achieved - this transport is most likely dependent on a concomitant energy consuming reaction (human ABC peroxisomal transporters: PEX family - check in future for new research articles describing biochemistry and stoichiometry) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1664 and HGNC:7898 NOTES: vitamin E uptake is similar to cholesterol, although passive diffusion has been observed, receptor mediated transport is faster. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11018 NOTES: SAB This reaction represents the ATP driven secretion of glu from the cell. It leaves out the vesicle because a compartment is not available for that. ATP demand is not known for sure stoichiometrically, but 1:1 H coupling ratio is assumed, which could translate to 3 b-ala/ATP. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT, TDV SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT, TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 or HGNC:53 or HGNC:54 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 or HGNC:10961 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11041 NOTES: _01-25-05 based on Wang et al., 1999, JBC, 274(21), 14875-14888. IT 03-07-05:replaced IT: now based on Balamurugan et al, 2005, Am J Physiol Renal Physiol, 288, F823-831,2005 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16266 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: TV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: TV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: TDV C20:4 transport SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:814 or HGNC:815 or HGNC:816 or HGNC:817 NOTES: plasma membrane version (SR and ER versions also exist) stoichiometry actually varies (number of Ca/ATP transported). See PMID: 7876199 NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 or HGNC:55 or HGNC:56 NOTES: CAMPt rxn in Recon 1 should be modified for its GPR. It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, includ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, xenobiotic transport (original and metabolized) NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11068 or HGNC:11069 or HGNC:11070 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18871 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, presumed diffusion NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2205 NOTES: non-vesicular intracellular transport of ceramide SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2205 NOTES: non-vesicular intracellular transport of ceramide SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2205 NOTES: non-vesicular intracellular transport of glucocerebroside SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2205 NOTES: non-vesicular intracellular transport of glucocerebroside SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10921 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 or HGNC:55 or HGNC:56 NOTES: CGMPt rxn in Recon 1 should be modified for its GPR. It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, includ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10956 or HGNC:10959 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10905 or HGNC:10906 NOTES: electrogenic uptake NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:54 NOTES: for bile acid secretion into bile NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - no strong evidence to indicate further lysosomal or golgi metabolism NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - no strong evidence to indicate further lysosomal or golgi metabolism NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14025 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10966 or HGNC:10969 NOTES: SAB electrogenic, Na indepdendent & rev SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:13886 and HGNC:13887) or HGNC:29 NOTES: ABCG5 and ABCG8 are heterodimers, expressed in the enterocytes, involved in the efflux of the cholesterol from small intestine (i.e. Enterocytes) into the luminal cells of the small intestine, to reduce cholesterol uptake. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:17579 NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ. NS: transport from lysozyme to mitochondria? SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29 NOTES: IT SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:22921 or HGNC:10985 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10917 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10979 NOTES: antiport with malate IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10979 NOTES: antiport with PEP IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8818 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14472 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8818 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14472 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14472 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11021 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: tv renamed from CO2TPr to CO2t NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10986 NOTES: TV May not a "real" transporter, use in heart mitochondria model only SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11055 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport, may be vesicular/caveolar/other ... intracellular transport and extracellular export mechanisms must exist - see for example: PMID: 15585321 NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: copied from NCD's CRNCARtp NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2342 NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10969 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10968 NOTES: SAB H+ stoichiometry unknown SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10969 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: mechanism not currently elucidated NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: assumed to be readily diffusible MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: assumed to be readily diffusible MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: (HGNC:12582 and HGNC:12585 and HGNC:12586 and HGNC:12587 and HGNC:12590 and HGNC:2265 and HGNC:2267 and HGNC:2269 and HGNC:2277 and HGNC:2279 and HGNC:2280 and HGNC:2285 and HGNC:2288 and HGNC:2291 and HGNC:2292 and HGNC:2294 and HGNC:24381 and HGNC:24382 and HGNC:2579 and HGNC:29594 and HGNC:30862 and HGNC:30863 and HGNC:7427) or (HGNC:12582 and HGNC:12585 and HGNC:12586 and HGNC:12587 and HGNC:12590 and HGNC:2579 and HGNC:29594 and HGNC:30862 and HGNC:30863 and HGNC:7427) NOTES: proteins SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12582 and HGNC:12585 and HGNC:12586 and HGNC:12587 and HGNC:12590 and HGNC:2579 and HGNC:29594 and HGNC:30862 and HGNC:30863 and HGNC:7427 NOTES: INVALID ECO TERM: IFH SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11058) or (HGNC:11026 and HGNC:11063) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11058) or (HGNC:11026 and HGNC:11066) NOTES: Merged CYSGLYexR and CYSGLYex - (May 2011) IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23087 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11026 and HGNC:11059 NOTES: SAB see PMID 14770310 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11025 and HGNC:11067 NOTES: SAB see PMID 14770310 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 or HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11001 or HGNC:16484 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11004 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18761 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: JLR SAB lyso SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: D-alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11004 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10966 NOTES: electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: ubiquinone precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11004 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11005 or HGNC:11007 or HGNC:11009 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10956 or HGNC:10959 or HGNC:10961 or HGNC:10962 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: specific mechanism not known NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD,IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2867 NOTES: _06-15-05 - EC 1.3.3.1 IT based on Bader et al, 1998, Prot. Expr. Purif,., 13,414-422 (I guess it is ubiquinone but i am not sure ) (needs FMN as cofactor) v(enzyme is located in inner-membrane of mitochondria, reaction take place in cytosol (Fig. 8 Rawls et al PMID: 10727948 ) SUBSYSTEM: Pyrimidine synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11004 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10924 or HGNC:10928 or HGNC:16270 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10999 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: dmhptcoa is 'special' because its biochemical fat isn't known NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport -see PMID 9299016, identifies 2,6-dimethylheptanoyl carnitine in the urine! NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14409 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB excretion of dopamine sulfate SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11048 or HGNC:11049 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10966 or HGNC:10967 or HGNC:10969 NOTES: SAB electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10934 or HGNC:10935 NOTES: SAB This reaction represents the ATP driven secretion of dopa from the cell. It leaves out the vesicle because that is not a compartment. ATP:H ratio is assumed as 1:3 for vacuolar ATPase and substrate:h ratio is 1:2. This gives a 3:2 ratio for substrate:ATP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11004 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10996 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10953 or HGNC:10956 or HGNC:10959 or HGNC:10961 or HGNC:13819 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 NOTES: for MDR transport mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:54 NOTES: for bile acid secretion into bile NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10952 or HGNC:10953 or HGNC:10956 or HGNC:10959 or HGNC:10961 or HGNC:10962 or HGNC:13819 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10905 NOTES: electrogenic uptake NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional uptake into ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: most likely NOT physiological - detailed information about the peroxisomal transporters has not yet been achieved - this transport is most likely dependent on a concomitant energy consuming reaction (human ABC peroxisomal transporters: PEX family - check in future for new research articles describing biochemistry and stoichiometry) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional output from ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: most likely NOT physiological - detailed information about the peroxisomal transporters has not yet been achieved - this transport is most likely dependent on a concomitant energy consuming reaction (human ABC peroxisomal transporters: PEX family - check in future for new research articles describing biochemistry and stoichiometry) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 or HGNC:10997 or HGNC:10998 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10999 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10999 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 or HGNC:10999 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 or HGNC:10999 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 or HGNC:10999 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 or HGNC:10999 NOTES: electroneutral transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV Lange H, 1999. SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10937 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism see Verhoeven 11591435 and clayton 11356171 - added for peroxisomal oxidation of fatty acids NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD,IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). See also Krisans (PMID: 14713247, PMID: 12121718) for synthesis of cholesterol pathway (why FRDP needs to be transported between ER and peroxisome) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). See also Krisans (PMID: 14713247, PMID: 12121718) for synthesis of cholesterol pathway (why FRDP needs to be transported between ER and peroxisome) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11006 or HGNC:11010 or HGNC:13445 or HGNC:13812 or HGNC:14239 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:22146 or HGNC:23155 NOTES: FRUt4 reaction in recon 1 needs to be updated for GPR. Role of SGLT-5 in glucose reabsorption is minor in comparison to SGLT-2 and SGLT-1. We have characterised hSGLT-5 as a kidney-specific, sodium-dependent mannose and fructose co-transporter. Substrat SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:4456 NOTES: replaces old version which contains redundant metabolite (gly3p) NCD split compartmentation NJ SUBSYSTEM: Glycolysis/gluconeogenesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4061 NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11018 NOTES: SAB This reaction represents the ATP driven secretion of glu from the cell. It leaves out the vesicle because a compartment is not available for that. ATP demand is not known for sure stoichiometrically, but 1:1 H coupling ratio is assumed, which could translate to 3 GABA/ATP. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however these blood groups need to make it to the extracellular surface of cells NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - not known if it is energy dependent or not, recycling and IC transport is important to get it to other areas of the cell NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - not known if it is energy dependent or not, recycling and IC transport is important to get it to other areas of the cell NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11005 or HGNC:11006 or HGNC:11007 or HGNC:13444 or HGNC:13812 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11036 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11037 or HGNC:22146 or HGNC:23155 NOTES: GALt4 in recon 1 needs to be modified for GPRs. Unlike in hSGLT1, D-galactose is a poor substrate for hSGLT2 with a K0.5 of 100 mM. Main trnasporter in kidney for re-absoprtion of sugars. GALt4 reaction in recon 1 needs to be updated for GPR. Role of SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11005 or HGNC:11006 or HGNC:11009 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - not known if it is energy dependent or not, recycling and IC transport is important to get it to other areas of the cell (e.g. plasma membrane) - The goal of this transporter is to get globoside to the EC plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - not known if it is energy dependent or not, recycling and IC transport is important to get it to other areas of the cell (e.g. plasma membrane) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10956 or HGNC:10959 or HGNC:10961 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10905 or HGNC:10906 NOTES: electrogenic uptake NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 or HGNC:42 or HGNC:54 NOTES: GCHOLAt3 rxn in Recon 1 should be modified for its GPR. It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, inc SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20197 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - likely translocated, unknown transporter/mechanism though NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:21705 NOTES: SAB SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11036 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11037 or HGNC:11038 or HGNC:22146 or HGNC:23091 or HGNC:23155 or HGNC:28750 NOTES: GLCt4 reaction in recon 1 needs to be modified for GPR. SGLT6 (also known as KST1 or SMIT2) was identified as a novel sodium-glucose cotransporter18 located within a genomic region associated with infantile convulsion and choreoathetosis as well as beni SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11005 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10933 NOTES: H symport into lysososome. See PMID: 2768261 and PMID: 10581036 ( for human evidence). Sialic acid storage disorders (due to transporter mutations) require import and export e.g. PMID: 2768266 NJ renamed from GLCURlt to GLCURtly - NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or HGNC:14679 or (HGNC:27960 and HGNC:29437) NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TV (6/7/2005) Study in rat liver (Soboll, 1991) SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18044 or HGNC:18070 NOTES: SAB based om PMID 10823827 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10982 or HGNC:10983 or HGNC:10988 or HGNC:19954 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10939 or HGNC:10940 or HGNC:10941 or HGNC:10944 or HGNC:10945 NOTES: SAB see Kanai and Hediger 2003 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, needed to transport glu-L out of ER in conversion of leuktrC4-> leuktrD4 NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16703 or HGNC:16704 or HGNC:20151 NOTES: SAB This reaction represents the ATP driven secretion of glu from the cell. It leaves out the vesicle because a compartment is not available for that. ATP demand is not known stoichiometrically. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11045 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18761 or HGNC:18762 NOTES: GLYt2r rxn in recon 1 needs to be modified for GPR. proton coupled symport transport. PAT2 expressed in kidney, muscles, heart, transports glycine, alanine, proline. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: NCD SAB lyso SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or HGNC:14679 or (HGNC:27960 and HGNC:29437) NOTES: SAB irreversible SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11056 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: TDV Biochim Biophys Acta. 1980 Jun 6;598(3):588-94 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11018 NOTES: SAB This reaction represents the ATP driven secretion of glu from the cell. It leaves out the vesicle because a compartment is not available for that. ATP demand is not known for sure stoichiometrically, but 1:1 H coupling ratio is assumed, which could translate to 3 gly/ATP. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 or HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TV (8-15-2003) Meister, A, Mitochondrial changes associated with glutathione deficiency, Biochimica et Biophysica Acta 1271 (1995) 35-42. The article reports that this is an active transport but doesn't not specify if it uses atp. SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism - NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4250 NOTES: NCD SAB e see Disussion section of PMID 15469854 SUBSYSTEM: Glutathione metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11004 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: AMF SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:633 or HGNC:634 or HGNC:637 or HGNC:638 or HGNC:642 or HGNC:7103 NOTES: renamed from H20t5 to H2Ot NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:642 NOTES: IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4818 or HGNC:4819 or HGNC:4820 NOTES: NCD SUBSYSTEM: Hyaluronan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4818 or HGNC:4819 or HGNC:4820 NOTES: NCD SUBSYSTEM: Hyaluronan metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11027 or HGNC:11028 or HGNC:11029 or HGNC:11035 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10996 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, hydroxylated (inactivated) estrogen derivative needs to be exported NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: unknown mechanism, hydroxylated (inactivated) estrogen derivative needs to be transported out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:13448 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10966 or HGNC:10967 or HGNC:10969 NOTES: SAB electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10934 or HGNC:10935 NOTES: SAB This reaction represents the ATP driven secretion of hista from the cell. It leaves out the vesicle because that is not a compartment. ATP:H ratio is assumed as 1:3 for vacuolar ATPase and substrate:h ratio is 1:2. This gives a 3:2 ratio for substrate:ATP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14679 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18044 NOTES: SAB based om PMID 10823827 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:819 and HGNC:820 NOTES: TV, RS (5/16/2005) This reaction are catalyzed by two classes of ATPase pumps (P-and ABC types) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11057 or HGNC:11060 or HGNC:11061 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: The proton is located in the lysosome since it comes from oxidation of the NH3+ group in glucosamine. This reaction assumes that the other proton liberated from glucosamine reduces coa in the cytosol. NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: The proton is located in the lysosome since it comes from oxidation of the NH3+ group in glucosamine. This reaction assumes that the other proton liberated from glucosamine reduces coa in the cytosol. NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: The proton is located in the lysosome since it comes from oxidation of the NH3+ group in glucosamine. This reaction assumes that the other proton liberated from glucosamine reduces coa in the cytosol. NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: The proton is located in the lysosome since it comes from oxidation of the NH3+ group in glucosamine. This reaction assumes that the other proton liberated from glucosamine reduces coa in the cytosol. NCD SUBSYSTEM: Heparan sulfate degradation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10984 or HGNC:12517 or HGNC:12518 or HGNC:12519 or HGNC:21065 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11004 NOTES: tv SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10933 NOTES: H symport into lysososome. See PMID: 2768261 and PMID: 10581036 (for human evidence). Sialic acid storage disorders (due to transporter mutations) require import and export e.g. PMID: 2768266 NJ renamed from GLCURlt to GLCURtly - NCD added IdoA reaction - NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23087 or HGNC:9225 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 or HGNC:11004 NOTES: AR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11038 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10913 or HGNC:10914 or HGNC:10915 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10913 or HGNC:10914 or HGNC:10915 or HGNC:13818 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17123 or HGNC:20728 SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: this reaciton is only found in lactating mammary cells NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, presumed diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, presumed diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 or HGNC:10961 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, presumed diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23087 or HGNC:9225 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, xenobiotic transport (original and metabolized) NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11041 NOTES: _01-25-05 based on Wang et al., JBC, 1999,1 274(21), 14875-14888. IT 03-07-05:replaced IT: now based on Balamurugan et al, 2005, Am J Physiol Renal Physiol, 288, F823-831,2005 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:26516 NOTES: NCD/TDV. This reaction exists in yeast, but no evidence could be found this exists in humans. However, there may be intramitochondrial lactate dehydrogenase and lactate transport into mitochondria SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10924 or HGNC:10928 or HGNC:16270 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: Na+-coupled transport of lactate, pyruvate, and the short-chain fatty acids acetate, propionate, and butyrate mediated by SMCT1 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:643 NOTES: SAB SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10999 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10999 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10999 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10969 or HGNC:11047 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11057 or HGNC:11060 or HGNC:11061 or HGNC:14679 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10985 or HGNC:22921 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: N-glycan synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11007 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11005 or HGNC:11006 or HGNC:11007 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:22146 or HGNC:23155 NOTES: MANt4 reaction in recon 1 needs to be updated for GPR. Role of SGLT-5 in glucose reabsorption is minor in comparison to SGLT-2 and SGLT-1. We have characterised hSGLT-5 as a kidney-specific, sodium-dependent mannose and fructose co-transporter. Substrat SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: metanephrine vesicular, ATP dependent transport - no strict evidence for this mode, added by analogy to adrnl vesicular transport reaction (both catechols that must be secreted out of the cell). NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: excretion of 3-mercaptolactate-cysteine disulfide (PMID: 6945862) MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11026 and HGNC:11063 NOTES: SAB see PMID 14770310 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23087 or HGNC:9225 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:17194 and HGNC:20371 and HGNC:20372 and HGNC:23987 and HGNC:30242 and HGNC:7455 and HGNC:7456 and HGNC:7458 and HGNC:7459 and HGNC:7460 and HGNC:7461 and HGNC:7462 and HGNC:7683 and HGNC:7684 and HGNC:7685 and HGNC:7686 and HGNC:7687 and HGNC:7688 and HGNC:7690 and HGNC:7691 and HGNC:7692 and HGNC:7693 and HGNC:7694 and HGNC:7695 and HGNC:7696 and HGNC:7697 and HGNC:7698 and HGNC:7699 and HGNC:7700 and HGNC:7701 and HGNC:7702 and HGNC:7703 and HGNC:7704 and HGNC:7705 and HGNC:7706 and HGNC:7707 and HGNC:7708 and HGNC:7710 and HGNC:7711 and HGNC:7712 and HGNC:7713 and HGNC:7714 and HGNC:7715 and HGNC:7716 and HGNC:7717 and HGNC:7719) or (HGNC:17194 and HGNC:20371 and HGNC:23987 and HGNC:30242 and HGNC:7455 and HGNC:7456 and HGNC:7458 and HGNC:7459 and HGNC:7460 and HGNC:7461 and HGNC:7462 and HGNC:7683 and HGNC:7684 and HGNC:7685 and HGNC:7686 and HGNC:7687 and HGNC:7688 and HGNC:7690 and HGNC:7691 and HGNC:7692 and HGNC:7693 and HGNC:7694 and HGNC:7695 and HGNC:7696 and HGNC:7697 and HGNC:7698 and HGNC:7699 and HGNC:7700 and HGNC:7701 and HGNC:7702 and HGNC:7703 and HGNC:7704 and HGNC:7705 and HGNC:7706 and HGNC:7707 and HGNC:7708 and HGNC:7710 and HGNC:7711 and HGNC:7712 and HGNC:7713 and HGNC:7714 and HGNC:7715 and HGNC:7716 and HGNC:7717 and HGNC:7719) NOTES: TV SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional uptake into ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional uptake into ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional uptake into ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - unidirectional to avoid NADP/NAD loops w/ free hydrogens NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional output from ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - unidirectional to avoid NADP/NAD loops w/ potential for free H NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion - but unidirectional output from ER (to avoid loops w/ NAD/NADP) NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11034 or HGNC:13811 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11040 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:14073 and HGNC:804) or (HGNC:14073 and HGNC:808) or (HGNC:799 and HGNC:804) or (HGNC:799 and HGNC:805) or (HGNC:799 and HGNC:806) or (HGNC:799 and HGNC:808) or (HGNC:800 and HGNC:804) or (HGNC:800 and HGNC:805) or (HGNC:800 and HGNC:808) or (HGNC:801 and HGNC:804) or (HGNC:801 and HGNC:805) NOTES: AMF TDV (8/25/2005, stoichiometry changed) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11036 or HGNC:11038 or HGNC:11040 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11071 or HGNC:11072 or HGNC:11073 or HGNC:11077 or HGNC:11078 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17123 or HGNC:20728 NOTES: JLR SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11071 or HGNC:11072 or HGNC:11073 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10912 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10975 or HGNC:10976 or HGNC:10977 or HGNC:10978 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10975 or HGNC:10976 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10006 or HGNC:14572 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10910 or HGNC:10911 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10910 or HGNC:10911 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11048 or HGNC:11049 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10967 or HGNC:10966 or HGNC:10966 or HGNC:10963 NOTES: SAB electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10934 or HGNC:10935 NOTES: SAB This reaction represents the ATP driven secretion of nrpphr from the cell. It leaves out the vesicle because that is not a compartment. ATP:H ratio is assumed as 1:3 for vacuolar ATPase and substrate:h ratio is 1:2. This gives a 3:2 ratio for substrate:ATP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: tv renamed from O2TP to O2t to avoid confusion with transport reaction from cytosol to peroxisome NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) - extracellular transport is also made available since metabolites can get to outer plasma membrane NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - intracellular transport occurs, most details are unknown - see for example Varki glycobiology text or numerous reviews (PMID: 8206147) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10999 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10985 or HGNC:22921 NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10985 or HGNC:22921 NOTES: TDV (ornithine carrier) SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11057 or HGNC:11060 or HGNC:11061 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10993 or HGNC:10994 or HGNC:3018 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16872 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13542 NOTES: See PMID: 10856717 - FLOPPASE activity no detailed data on which compartment ATP hydrolysis occurs, so for the time being assumed to be cytosolic NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13531 or HGNC:13542 or HGNC:45 NOTES: See PMID: 10856717 - flippase activity NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13531 or HGNC:13542 NOTES: See PMID: 10856717 - flippase activity no detailed data on which compartment ATP hydrolysis occurs, so for the time being assumed to be cytosolic NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, xenobiotic transport (original and metabolized) NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV changed name to"tm" to indicate mitochondrial transport NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:11057 or HGNC:11060 or HGNC:11061 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or HGNC:14679 or (HGNC:27960 and HGNC:29437) NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17027 or HGNC:23087 or HGNC:9225 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10989 NOTES: Symport IF SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10932 or HGNC:10931 or HGNC:10930 or HGNC:10929 or HGNC:11019 or HGNC:11020 NOTES: Merged GPRs from PIt7 and PIt7r. May 2011 IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:4061 NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11041 NOTES: _01-25-05 based on Wang et al., JBC, 1999,1 274(21), 14875-14888. IT 03-07-05:replaced IT: now based on Balamurugan et al, 2005, Am J Physiol Renal Physiol, 288, F823-831,2005 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: TDV SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: TDV Short-chain fatty acid can diffuse through mitochondrial membrane SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: NCD. Benzodiazepine receptor PBR see also 17168567 SUBSYSTEM: Heme synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: it SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: Mechanism not known, see PMID 11591435 for justification. NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: Mechanism not known, see PMID 11591435 for justification. NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: Mechanism not known, see PMID 11591435 for justification. NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18761 NOTES: NCD SAB D form SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: NCD SAB D form, lyso SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10955 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10955 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:55 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10952 or HGNC:10953 or HGNC:10955 or HGNC:10956 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10966 or HGNC:10966 or HGNC:10963 NOTES: electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:55 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10966 or HGNC:10966 or HGNC:10963 NOTES: electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:18761 or HGNC:18762 NOTES: PROt2r rxn in recon 1 needs to be modified for GPR. proton coupled symport transport. PAT2 expressed in kidney, muscles, heart, transports glycine, alanine, proline. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: NCD SAB lyso SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13531 or HGNC:13542 NOTES: See PMID: 10856717 - flippase activity NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:13531 or HGNC:13542 NOTES: See PMID: 10856717 - flippase activity no detailed data on which compartment ATP hydrolysis occurs, so for the time being assumed to be cytosolic NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 NOTES: IF changed name from "tm" to "t2m" - NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10928 NOTES: NCD SUBSYSTEM: D-alanine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10922 or HGNC:10924 or HGNC:10928 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:30650 and HGNC:9919 and HGNC:9922) or (HGNC:30650 and HGNC:9920 and HGNC:9922) NOTES: circulating retinol is bound to the retinol binding protein-4 with high affinity forming retinol-RBP complex, STRA6 acts as a transporter of this complex and further activates signaling cascades (PMID: 21368206). after entry into the enterocytes, the CRBP SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16187 NOTES: _01-25-05 IT based on SAid et al., 1994, Am. Physiol. Soc., G15-G21. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - carnitine transporters not found, unknown mechanism intracellularly, however there must be a mechanism for FA transport NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - carnitine transporter for malonyl CoA found in peroxisome, however transport of other, longer chain FA not yet discovered (PMID: 15590999) SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10606 NOTES: intracellular transport, mechanism details not presently known NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10606 NOTES: intracellular transport, mechanism details not presently known NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB based on yeast SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB based on yeast AMET transport SUBSYSTEM: Selenoamino acid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10916 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:11025 and HGNC:11065 NOTES: SAB see PMID 14770310 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or HGNC:14679 or (HGNC:27960 and HGNC:29437) NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18070 NOTES: SAB based on PMID 12845534 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14472 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10993 or HGNC:10994 or HGNC:14467 or HGNC:14468 or HGNC:14469 or HGNC:14471 or HGNC:3018 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:14472 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:15827 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport, may be vesicular/caveolar/other ... intracellular transport and extracellular export mechanisms must exist - see for example: PMID: 15585321 NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport, may be vesicular/caveolar/other ... intracellular transport and extracellular export mechanisms must exist - see for example: PMID: 15585321 NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism - reflects interaction between different stages of endosomes and cytoplasm NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, however sphingosine manages to get in different compartments of cells. NOT presumed to be flip-flop. NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism, however sphingosine manages to get in different compartments of cells. NOT presumed to be flip-flop. NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - however must get to other intracellular compartments (e.g. lysosome for degradation) NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however sphs1p is known to have intracellular and extracellular activity and signal transduction functions (PMID: 10751414). NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however sphs1p is known to have intracellular and extracellular activity and signal transduction functions (PMID: 10751414 or PMID: 15585321). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11050 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10963 or HGNC:10966 NOTES: SAB electrogenic, Na indepdendent & rev NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10980 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10917 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11460 NOTES: MM/TDV; r0140 SUBSYSTEM: Methionine and cysteine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11052 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: HGNC:11052 NOTES: SAB SUBSYSTEM: Taurine and hypotaurine metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10953 or HGNC:10956 or HGNC:10959 or HGNC:10961 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10905 or HGNC:10906 NOTES: electrogenic uptake NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 or HGNC:42 or HGNC:54 NOTES: TCHOLAt3 rxn in Recon 1 should be modified for its GPR. It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, inc SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: thiocyanate is found excreted in urine (PMID: 6351723) MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: thiocyanate is found excreted in urine (PMID: 6351723) MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however bile acids need to be secreted out of the cell NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:7863 NOTES: TDV (2-6-2003) SUBSYSTEM: NAD metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10937 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD,IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11001 or HGNC:16484 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10937 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10938 or HGNC:16266 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10937 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11026 and HGNC:11058 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10942 or HGNC:10943 NOTES: SAB see Kanai and Hediger 2004 (2003), PMID 14530974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 or HGNC:13447 or HGNC:13448 or (HGNC:13557 and HGNC:27960) or (HGNC:27960 and HGNC:29437) NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 or HGNC:11004 NOTES: TDV SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 NOTES: TDV SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10953 or HGNC:10956 or HGNC:10959 or HGNC:13819 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10923 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: interaction between peroxisomes and ER (some enzymes on the outer membrane) NJ SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB excretion SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10953 or HGNC:10956 or HGNC:10959 or HGNC:10961 or HGNC:13819 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10923 NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17027 or HGNC:19660 NOTES: TRPt rxn in recon 1 needs to be modified for GPR. PAT4 is a high-affinity/low-capacity non-proton-coupled amino acid transporter, ubiquitously expressed. Mediates facilitated diffusion mechanism for proline, tryptophan, alanine. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11047 or (HGNC:13557 and HGNC:27960) or (HGNC:27960 and HGNC:29437) NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:51 NOTES: for MDR transport NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, however glucuronidated metabolites need to get out of the cell NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism - presumed excretion of sulfonated testosterone NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: specific mechanism not known, proton dependence for trans-mit transport has been suggested, however directionality and stoichiometry has not yet been elucidated. see PMID: 12770731 and others NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10916 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10996 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - known to be secreted from cells - unknown mechanism or pathway, TXA2tc -> TXA2te to get to EC space NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - known to be secreted from cells - unknown mechanism or pathway, TXA2tr -> TXA2te to get to EC space NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: SAB excretion of tyramine sulfate SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:17027 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11047 or (HGNC:13557 and HGNC:27960) or (HGNC:27960 and HGNC:29437) NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - there are UDPACGAL-translocators for ER and Golgi, however no info on lysosomal - poor support for this NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11022 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20800 NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11023 or HGNC:20584 or HGNC:20799 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism for transport - not known if it is energy dependent or not, recycling and IC transport is important to get it to other areas of the cell (e.g. plasma membrane) - translocators have been found for ER and Golgi - none found for lysosome yet so non-mechanistic transporter added - in future this will need to be revised _when_ a translocator is found NJ SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20584 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20800 NOTES: NCD SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11022 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20799 NOTES: NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10918 or HGNC:10919 or HGNC:11036 or HGNC:11040 NOTES: JLR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11036 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:643 NOTES: JLR SAB m SUBSYSTEM: Urea cycle $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 or HGNC:11004 NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11001 or HGNC:11002 or HGNC:16484 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23096 NOTES: IT SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11003 NOTES: IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: NJ SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: MM SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23087 or HGNC:9225 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: I am not sure how vitamin D3 is released from Skin cells based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: I am not sure how vitamin D3 is transported in cytosol based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: I am not sure how vitamin D3 is released from Skin cells based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: I am not sure how vitamin D3 is transported in cytosol based on Vitamins, G.F.M. Ball,2004, Blackwell publishing, 1st ed (book) pg.193 IT SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: details of metabolism, etc are unknown - allwoed to be exported presently - unknown mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: unknown mechanism, related cyp P450 metabolism reactions NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: unknown mechanism NJ SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: cholesterol precursor, transport by "diffusion" -> actually beleived to be flip-flop mechanism (PMID: 12840657). NJ SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: immunocytochemistry, subcellular fractionation, and electron microscopy have demonstrated that xylosylation begins in the ER and continues in the early Golgi [Kearns, J Biol Chem 1993] PMID: 8496172 NCD SUBSYSTEM: Transport, golgi apparatus $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11007 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: IT SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4456 SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10992 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:54 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Pyruvate metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11023 NOTES: UGLCNACtg but different compartment SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Purine catabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14409 or HGNC:14411 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:13886 and HGNC:13887 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11052 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11055 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2295 SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2295 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3791 or HGNC:3793 or HGNC:3795 NOTES: the folate receptor is encoded by atleast 3 genes, most tissues expressing the alpha form. The folate receptor like protein mediates unidirectional flux following internalization of the folate-receptor complex. (Janos Zempleni, Robert B. Rucker, Donald B SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10999 SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10999 SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:53 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:2366 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Bile acid synthesis $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:42 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:42 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11001 or HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11001 or HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11002 or HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14679 SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 or HGNC:10928 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Aminosugar metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 or HGNC:10928 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:59 and HGNC:6257) or (HGNC:59 and HGNC:6269) or (HGNC:60 and HGNC:6257) or (HGNC:60 and HGNC:6269) NOTES: Functional KATP channels are octomeric protein structures composed of four Kir6.x subunits that form the channel pore, surrounded by four sulfonylurea receptors (SURs) that regulate the channel pore activity. Unlike traditional ABC transporters, the SUR SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10905 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:29 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:56 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:56 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:56 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:56 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:55 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18168 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 and HGNC:11026 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11063 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11064 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11067 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10907 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10929 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10959 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10955 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10963 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18057 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10974 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10979 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:22921 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10980 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:14409 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11001 or HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11002 or HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11012 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:18761 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:11024 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:4061 SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10956 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:61 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:61 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:61 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:61 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:51 SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10922 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:67 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:67 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:10981 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9225 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9225 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9225 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9225 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: HGNC:9225 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Eicosanoid metabolism $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23089 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11051 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11033 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23091 NOTES: NCD SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10946 or HGNC:10947 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:20305 NOTES: MM SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11054 NOTES: SAB SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16232 and HGNC:2265 and HGNC:2267 and HGNC:2269 and HGNC:2277 and HGNC:2279 and HGNC:2280 and HGNC:2285 and HGNC:2287 and HGNC:2288 and HGNC:2289 and HGNC:2291 and HGNC:2292 and HGNC:2294 and HGNC:24380 and HGNC:24381 and HGNC:24382 and HGNC:7419 and HGNC:7421 and HGNC:7422 NOTES: TV, 2% O2 lost in O2- SUBSYSTEM: Oxidative phosphorylation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: mitochondrial aceto acetyl coA thiolase deficiency, high levels of 3-hydroxy butyryl carnitine in urine. In SCHAD high blood levels of 3-hydroxy butyryl carnitine. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in MCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in MCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1421 NOTES: acyl carnitines transported by CACT. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated levels in urine in case of dicarboxylic aciduria SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in urine in C-12 dicarboxylic aciduria SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in reyes syndrome SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 NOTES: however palmitic acid is more favourable for mitochondrial beta oxidation SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in malonyl coa carboxylase deficiency SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in SCAD, multiple coA dehydrogenase deficiency, GA-2, ethyl malonic encephalopathy, isobutyryl coa dehydrogenase deficiency, beta keto thiolase deficiency and formimino glutamic aciduria. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1421 NOTES: acyl carnitines transported by CACT. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: biomarker in methyl malonyl coA mutase deficiency SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: should be noted that shortchain acylcarnitines are freely permeable accross membrane SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in GA-1 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in MCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: short and medium chain acylcarnitines are also freely permeable accros the membrane. SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1421 NOTES: acyl carnitines transported by CACT. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in HMG coA lyase deficiency SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: VLCAD biomarker C14:1/C8:1 in serum SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in MCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated urinary levels in dicarboxylic aciduria SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 NOTES: mentioned in recon1 as SCP22x. CACT activity has been reported in peroxisomes and they mediate transfer of acylcarnitine from peroxisomes to cytosol and then furher uptake into mitochondria.CACT are concentration dependant,uniport transporters acting in ping-pong mechanism. Synonym is CACT SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10996 NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 and HGNC:66 NOTES: mentioned in recon1 as DCSPTN1COAtx SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: increased amounts of C12OH in mouse brain in LCHAD. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: biomarker for VLCAD is C14:1/C12 ratio in blood. Mitochondrial origin has been assumed. Abnormal concentration in multiple acyl coa dehydrogenase deficiency, carnitine uptake defect and glutaric aciduria-2. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: abnormal in carnitine uptake defect. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: increased amounts in MCKAT and SCAD. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: blood levels measured for evaluating carnitine nutritional status and fatty acid and organic acid disorders SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 and HGNC:66 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10995 or HGNC:10996 or HGNC:10997 or HGNC:10998 or HGNC:11000 NOTES: fatty acid transport proteins mediate the uptake of long and very long chain fatty acids. These transport proteins are widely distributed and thought to possess fatty acid activating properties. May requires other proteins also. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 and HGNC:66 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: high levels may be excreted in urine in case of peroxisomal biogenesis disorders SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1421 NOTES: acyl carnitines transported by CACT. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated C16:1OH in LCHAD and TFP deficiency SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated C16OH in LCHAD and TFP deficiency SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2690 NOTES: required for the production of C16DC. acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:2690 NOTES: required for the production of short chain DC in peroxisomes. Alternatively C16 DC can also be produced from C18DC and other higher DC. Peroxisomes does not contain ACBP, so this reaction is irrerversible SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in beta keto thiolase deficiency, multiple carboxylase deficiency, MHBD, 3-MCC, HMGcoa lyase deficiency and methyl-glutaconyl hydratase deficiency. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: detected in FAO disorders SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in LCHAD and TFP deficiency. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: abnormal increased pattern in LCHAD. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in beta kto thiolase deficiency, SCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 and HGNC:66 NOTES: 4 peroxisomal transporters have been identified. ABCD1,ABCD2,PMP69 and PMP70.all are ABC half transporters, role of only ABCD1 has been characterized in details.role of ABCD2 identified recently in PMID: 18854420 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 and HGNC:66 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10995 or HGNC:10996 or HGNC:10997 or HGNC:10998 or HGNC:11000 NOTES: fatty acid transport proteins mediate the uptake of long and very long chain fatty acids. These transport proteins are widely distributed and thought to possess fatty acid activating properties. May requires other proteins also. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2690 NOTES: acyl coA binding protein is localized in cytosol, nucelus, golgi, E.R., mitochondrial inter memebrane space. In mitochondria its released when the integrity of the organelle is compromised. It has wide role in lipid metabolism, also acts as a coA transporter between different cellular compartments. can transport accumulated acyl coAs from cutosol into mitochondria for beta oxidation or into cytosol for either transport into other compartemnts or for elliciting signalling cascades. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1421 SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in LCHAD and TFP deficiency. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: free fatty acids transported by simple diffusion, fatty acid transport proteins may be involved. Depends on the physiological concentration of these fatty acids. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:67 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:67 NOTES: already present in recon 1 but without coupled atp hydrolysis SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 NOTES: mentioned in recon1 as STCOAtx SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:61 SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:1421 NOTES: acyl carnitines transported by CACT. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: simple diffusion of fatty acids freely across membranes SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in VLCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in VLCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: elevated in VLCAD SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: beta keto thiolase deficiency, urine analysis shows high levels of tiglyl carnitine. Flushed out of the body and excreted in the urine. SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: leucine is the only amino acid tested for efflux. Expressed in ovary, placenta, brain, spleen, testis, activated lymphocytes and some tumor cells. Functions as a antiport transport system (DOI 10.1016/j.cell.2009.01.02), requires heterodimerization with glycoprotein CD98 (Pflugers Arch-Eur J Physiol (2000) 440:503-512, DOI 10.1007/s004240000274, PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29437 and HGNC:30927 NOTES: IMINO transporter is suggested to be a candidate for iminoglycinuria (PMID: 16052352). Associted with collectrin in kidney. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10973 or HGNC:10974 NOTES: SVCT1 and SVCT2 differ in their tissue distribution, SVCT1 is more ubiquitously expressed, where as SVCT1 is confined to intestine, liver and kidney. The Na+ symport transport is energized by Na+/K+ ATPase, therefore its a secondary active transport ( G.F.M. Ball (2006) Vitamins their role in the human body, Blackwell publishing, chapter 19, page 395-398). Vitamin C is absorbed only in ascorbate form, can be oxidized into dehydroascorbate, and can then enter the blood stream (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 312-313). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11066 and HGNC:11026 NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11052 NOTES: beta transporter system requires chloride ions for optimal uptake of amino acids into the cells. Expressed on both apical and basolateral membranes of renal cells. Transports taurine and beta alanine. (PMID: 18195088) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: PAT1 proton-amino acid co-transporter with 1:1 stoichiometry, does not discriminate between L and D isomers, located on the apical membrane of kidney and intestine (PMID: 18400692, PMID: 18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: biotin release from the enterocytes along the baso-lateral membrane is carrier protein mediated, Na+ independant and eletroneutral (exact protein involved needs to be further investigated). However pantothenic acid seems to compete with biotin for uptake. also in the presence of pantothenate, more amount of biotin exits enterocytes (PMID: 10064315). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18068 or HGNC:23090 NOTES: hPT3 (human peptide transporter 3) transports histidine and di-peptides from the lysosomes into the cytosol. Co-transports proton, expressed in lung, thymus, spleen and faintly in brain, placenta, liver, adrenal gland and heart (PMID: 12905028). hPT4 expressed in brain, placenta and retina. Transports carnosine and histidine in a proton symport mechanism. (PMID: 12905028). SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Cobalamin binds intrinsic factor and then the complex binds cubilin and amnionless (that serve as anchors for the receptor). Even though megalin (MAG) and receptor-associated protein (RAP) can interact with CUB, the precise role if any, of these proteins in CUB-mediated absorption of IF-Cbl has not been determined (PMCID: PMC2809139). absorption of cobalamin can also occur by simple diffusion along the entire small intestine, this accounts for 1-3% of the dieatry vitamin, however significant role under pharmacological doses (G.F.M. Ball (2006) Vitamins their role in the human body, Blackwell publishing, chapter 18, page 386). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: transported in chylomicrons into lymph SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18070 NOTES: SNAT5 performs both symport with sodium and antiport with proton, for the net transport of neutral amino acid into the cell. Cellular localization has been reported in stomach, brain, liver, lung, small intestine, spleen, colon and kidney. (PMID: 12845534) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11025 and HGNC:11067 NOTES: sodium independant antiport transport system, exchanges di-basic amino acids into the cells and neutral amino acids out of the cell. Located on the apical surfaces of transporting epithelia. Cellular localization being small intestine, kidney (proximal tubule), lung, placenta, brain and thymus. Requires the heterodimerization with rBAT glycoprotein. (PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11025 and HGNC:11067 NOTES: sodium independant antiport transport system, exchanges di-basic amino acids into the cells and neutral amino acids out of the cell. Located on the apical surfaces of transporting epithelia. Cellular localization being small intestine, kidney (proximal tubule), lung, placenta, brain and thymus. Requires the heterodimerization with rBAT glycoprotein. (PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:30521 NOTES: carrier protein mediated. H+ symport. Mutations in this gene is associated with hereditary folate mal-absorption syndrome (IEM) (PMID: 19762432) . SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11036 NOTES: SGLT-1 can also transport sugars coupled with H+ instead of Na+, under conditions of decreased extra-cellular ph. However, the affinity for glucose decreases with H+ coupled transport. (PMID: 17468205). The transport system is energized by Na/K ATPase activity (PMID: 7730974, Journal of animal science (2001) volume 79, (E suppl) E59:E72). Reversible transport for SGLT-1 has been suggested in a 6-state model in PMCID: PMC3000923. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11036 NOTES: SGLT-1 can also transport sugars coupled with H+ instead of Na+, under conditions of decreased extra-cellular ph. However, the affinity for glucose decreases with H+ coupled transport. (PMID: 17468205). The transport system is energized by Na/K ATPase activity (PMID: 7730974, Journal of animal science (2001) volume 79, (E suppl) E59:E72). Reversible transport for SGLT-1 has been suggested in a 6-state model in PMCID: PMC3000923. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). glycine-sarcosine is also transported accros the brain specifically by PEPT2 (PMID: 20571525). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18070 NOTES: SNAT5 performs both symport with sodium and antiport with proton, for the net transport of neutral amino acid into the cell. Cellular localization has been reported in stomach, brain, liver, lung, small intestine, spleen, colon and kidney. (PMID: 12845534) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18068 or HGNC:23090 NOTES: hPT3 (human peptide transporter 3) transports histidine and di-peptides from the lysosomes into the cytosol. Co-transports proton, expressed in lung, thymus, spleen and faintly in brain, placenta, liver, adrenal gland and heart (PMID: 12905028). hPT4 expressed in brain, placenta and retina. Transports carnosine and histidine in a proton symport mechanism. (PMID: 12905028) SUBSYSTEM: Transport, lysosomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3555 NOTES: crystal structure of LFAB revealed 2 binding sites (in contrast to IFAB which has 1:1 stoichiometry) for oleate (PMID: 9054409). LFAB is expressed in liver, kidney, intestine, pancreas, stomach and lung (PMCID: PMC2670638). Once the long chain fatty acids enter the enterocytes, bind to the FABP reversibly, for transport into the E.R. to reconstitute triacylglycerols (PMID: 20522896, PMID: 19280719). SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: leucine is the only amino acid tested for efflux. Expressed in ovary, placenta, brain, spleen, testis, activated lymphocytes and some tumor cells. Functions as a antiport transport system (DOI 10.1016/j.cell.2009.01.02), requires heterodimerization with glycoprotein CD98 (Pflugers Arch-Eur J Physiol (2000) 440:503-512, DOI 10.1007/s004240000274, PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). LAT2 carries both influx and efflux of phenylalanine, leucine and isoleucine, hence such reactions are reversible. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: major intestinal fatty acid transport protein, may also act in co-ordination with acyl co-A synthetase. The transport is ATP driven, further the transporter itself has fatty acid activating enzymic properties (PMID: 12856180). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: 5-methylfolate is found in the portal circulation, so this reaction was added as folate exit from the enterocytes. The transport is carrier proteen mediated, Na+ independant and electro-neutral. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion process. Hypothetically created. Nothing much is known about nicain exit from the enterocytes. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:8494 NOTES: nicotinate is essential for life expansion, needs to be re-absorbed. Can be either obtainedfrom diet, from tryptophan or breakdown of proteins. Low pH is required for an efficient uptake. The orphan transporter is highly operative in PCT og kidneys. Some authors have also suggested involvement of SLC5A8 in niacin uptake when niacin is administered at high pharmacological doses (PMID: 21749321). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: diffusion process. Hypothetically created. Nothing much is known about nicain exit from the enterocytes. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3555 NOTES: crystal structure of LFAB revealed 2 binding sites (in contrast to IFAB which has 1:1 stoichiometry) for oleate (PMID: 9054409). LFAB is expressed in liver, kidney, intestine, pancreas, stomach and lung (PMCID: PMC2670638). Once the long chain fatty acids enter the enterocytes, bind to the FABP reversibly, for transport into the E.R. to reconstitute triacylglycerols (PMID: 20522896, PMID: 19280719). SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11025 and HGNC:11067 NOTES: sodium independant antiport transport system, exchanges di-basic amino acids into the cells and neutral amino acids out of the cell. Located on the apical surfaces of transporting epithelia. Cellular localization being small intestine, kidney (proximal tubule), lung, placenta, brain and thymus. Requires the heterodimerization with rBAT glycoprotein. (PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11025 and HGNC:11067 NOTES: sodium independant antiport transport system, exchanges di-basic amino acids into the cells and neutral amino acids out of the cell. Located on the apical surfaces of transporting epithelia. Cellular localization being small intestine, kidney (proximal tubule), lung, placenta, brain and thymus. Requires the heterodimerization with rBAT glycoprotein. (PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: transported in chylomicrons into lymph SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: (HGNC:11026 and HGNC:11064) or (HGNC:11026 and HGNC:11065) NOTES: y+LAT1 and y+LAT2 transporters requires CD98 for sequesterization to the plasma membrane. Acts as an amino acid exchanger, with influx of neutral aminoa acids and efflux of cationic amino acid, requires Na+ for optimal activity. Can also operate with H+ in absence of Na+ (PMID: 11546643). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:3555 NOTES: crystal structure of LFAB revealed 2 binding sites (in contrast to IFAB which has 1:1 stoichiometry) for oleate (PMID: 9054409). LFAB is expressed in liver, kidney, intestine, pancreas, stomach and lung (PMCID: PMC2670638). Once the long chain fatty acids enter the enterocytes, bind to the FABP reversibly, for transport into the E.R. to reconstitute triacylglycerols (PMID: 20522896, PMID: 19280719). SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: not much is known about the pantothenic acid exit across the basolateral membrane. Diffusion reaction is hypothetical. However, uptake of pantothenate by RBCs takes place by simple diffusion (G.F.M. Ball (2006) Vitamins their role in the human body, Blackwell publishing, chapter 15, page 329.). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10920 NOTES: PEPT1 appears to transport all di- and tri- peptides across the brush border of the intestinal cells (Sareen S. Gropper, Jack L. Smith, James L. Groff (2009) Advanced nutrition and human metabolism, Wadsworth cengage learning, 5th edition, page 193). PEPT1 is expressed highly in intestinal cells where as PEPT2 is localized to renal cells (PMID: 10330047). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29437 and HGNC:30927 NOTES: IMINO transporter is suggested to be a candidate for iminoglycinuria (PMID: 16052352). Associted with collectrin in kidney. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:30224 or HGNC:30225 NOTES: both entry and exit of riboflavin from the enterocytes in energy dependant and Na+ independant. Carrier protein mediated. RIBFLVte rxn in the IEC reconstruction can be modified for GPR, since RFT3 is expressed only in brain. hRFT3, which could play an i SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: transported in chylomicrons into lymph SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11052 NOTES: beta transporter system requires chloride ions for optimal uptake of amino acids into the cells. Expressed on both apical and basolateral membranes of renal cells. Transports taurine and beta alanine. (PMID: 18195088) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:18761 NOTES: PAT2 is strongly expressed in heart and lung and more weakly in kidney and muscle (PMID:18400692). PAT2 doest not strongly discriminate between L and D isomers (PMID: 18400692). PAT1 proton-amino acid co-transporter with 1:1 stoichiometry, does not discriminate between L and D isomers, located on the apical membrane of kidney and intestine (PMID: 18400692, PMID: 18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: thiamine exit from the enterocytes, depends on sodium and energy mediated by Na/K ATPase. Thiamine exit is directly coupled to ATP hydrolysis (PMID: 12645798). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11047 NOTES: ATB0 is both sodium and chloride coupled, with reaction stoichiometry 2Na+:1cl:1amino acid. The transporter is localted in the intestine, has a broad substrate specificity (both neutral and cationic amino acids), but is not involved in the transport of aspartate, glutamate and proline (PMID:18195088). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: leucine is the only amino acid tested for efflux. Expressed in ovary, placenta, brain, spleen, testis, activated lymphocytes and some tumor cells. Functions as a antiport transport system (DOI 10.1016/j.cell.2009.01.02), requires heterodimerization with glycoprotein CD98 (Pflugers Arch-Eur J Physiol (2000) 440:503-512, DOI 10.1007/s004240000274, PMID: 10958334). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: higer affinity for small neutral amino acids that LAT1, functions as exchanger (antiport system), at the basolateral surface of memebranes in transporting epithelia. Localized in the proximal tubule of kidney, small intestine. Lesser expression in ivary, placenta and brain. Heterodimerization with CD-98 for traficking of the complex to the mebrane. (Pflugers Arch-Eur J Physiol (2000) 440:503-512 DOI 10.1007/s00420000274). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29 NOTES: ATP binding cassete required for efflux of the vitamin E into the lymph form the enterocytes. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: vit K release into lymph via chylomicrons SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: transported in chylomicrons into lymph SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: 1-alpha,25-dihydroxy vitamin D3 binds to the vitamin D binding receptor protein, i.e. Located in the cytosol and together this complex is translocated to the nucelus. There it binds retenoid X-receptor and then to vitamin D response element located in the promotor region of selected genes. SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11030 NOTES: Na/hco3 co-transporter, expressed at the basolateral side, meant for uptake of hco3, expressed highly in the intestine (NBC1). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: added during gap-filling, required for GABA role in cell proliferation. SUBSYSTEM: Transport, nuclear $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10942 NOTES: ASCT1 helps in absorption of hydroxy-proline by aiding in its exit from the enterocytes into the blood stream. The ASCT1 transport system operates as an obligatory amino acid exchanger, Na+ depedant manner. Alaine is the preeferred susbstrate. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: no specific transporter for exit of D-alanine could be found, so diffusion mechanism is assumed. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: D-aspartate may exit by diffusion or require specific transporters. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10942 NOTES: ASCT-1 transport system operates at the basolateral surface, acts as an amino acid exchanger. Preferred substrates are small neutral amino acids, however shown to have transport proline and hydroxy-proline. At acidic ph also transports aspartate and glutamate. the ASCT-1 operates in a similar mechanism as ASCT-2. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: newly synthesized cholesterol may either be incorporated into membrane or transported out of enterocytes. SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: added during gap filling. SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10908 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10909 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: required for cholesterol synthesis in E.R. SUBSYSTEM: Transport, endoplasmic reticular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:11006 NOTES: GLUT-2 can also move to the apical surface and aid in glucose import into the cell under fully fed state (PMID: 17786952) SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10942 NOTES: ASCT-1 transport system operates at the basolateral surface, acts as an amino acid exchanger. Preferred substrates are small neutral amino acids, however shown to have transport proline and hydroxy-proline. At acidic ph also transports aspartate and glutamate. the ASCT-1 operates in a similar mechanism as ASCT-2. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: for regeneration of nad in peroxisomes, for providing nad to the beta oxidation SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: added during gap filling. No evidence found for such a reaction. SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: for regeneration of nad in peroxisomes, for providing nad to the beta oxidation SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: added during gap-filling, no evidence for such a reaction. only assumed. SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, peroxisomal $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: feline leukemia virus subgroup receptor c is responsible for heme transport into the protal blood. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: added during gap-filling. SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: added during gap-filling. Diffusion into the blood is assumed. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: putriscine uptake by the cells via passive diffusion, reported to be more rapid at the basolateral side. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: plasma concentration of ubiquinol indicates healthy state of an individual. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: major intestinal fatty acid transport protein, may also act in co-ordination with acyl co-A synthetase. The transport is ATP driven, further the transporter itself has fatty acid activating enzymic properties (PMID: 12856180). SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: sulfocysteine is exfreted in urine SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: HGNC:10963 NOTES: polyamines are taken up by diffusion process, although specific carriers and para-cellular transport has also been documented. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: taurine is an osmolyte that aids in osmoregulation. Reactive oxygen species (ROS) and eicosanoids activate tyrosine-kinase cascade, resulting in activation of volume sensitive taurine channel. Further ROS causes membrane permeabilization that results in taruine loss. SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:16484 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: SUBSYSTEM: Transport, mitochondrial $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:10971 SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Transport, extracellular $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: the 1,25-dihydroxy vitamin D3 binds to the vitamin D binding protein, migrates to the nucleus and accelerates genomic actions. SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: GABA in the intestine may aid in differentiation and proliferation of epithelial cells. GABA intake by oral administration has been shown to alleviate stress, worry and anxiety and additionally it can also improve human immunity (PMID: 16971751). However the PAT1 transporter located at the apical side of enterocytes have very low affinity for GABA. I have presumed that this oral GABA is used within intestine (unless administered at high very high pharmacological doses, GABA exit from the enterocytes may be mediated by other specifc transporters). SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: added during gap-filling, no evidence for such a reaction. only assumed. SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: NOTES: added during gap-filling, no evidence for such a reaction. only assumed. SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 0 GENE_ASSOCIATION: SUBSYSTEM: Fatty acid oxidation $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: Na coupled transport of pyruvate, lactate, and short chain fatty acids, i.e., acetate, propionate, and butyrate mediated by SMCT1 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 or HGNC:23097 NOTES: CNT3, which shows tolerance to Na+ substitution perH+, thus being actually a Na+/H+-coupled transporter. H+-coupled nucleoside transport may be relevant in some tissues, such as the small intestine. Substrate specificity for CNT3 include anticancer and antiviral nucleoside drugs, purine, pyrimidines. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19660 NOTES: PAT4 is a high-affinity/low-capacity non-proton-coupled amino acid transporter, ubiquitously expressed. Mediates facilitated diffusion mechanism for proline, tryptophan, alanine. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 or HGNC:10998 NOTES: FATP1 has an intrinsic acyl-CoA synthetase activity with broad specificity for both long and very long chain fatty acids, including C18:1, C20:4, C16:0, C24:0. Uptake of short chain fatty acid such as C4:0 or C8:0 is unaffected by FATP expression, while uptake of C16:0 ans C18:0 is robustly enhanced. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 or HGNC:10996 or HGNC:10997 or HGNC:10998 NOTES: FATP1 has an intrinsic acyl-CoA synthetase activity with broad specificity for both long and very long chain fatty acids, including C18:1, C20:4, C16:0, C24:0. Uptake of short chain fatty acid such as C4:0 or C8:0 is unaffected by FATP expression, while uptake of C16:0 ans C18:0 is robustly enhanced. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11045 NOTES: "BGT1 is a betaine/GABA transporter that protects cells in the hypertonic inner medulla by mediating basolateral betaine uptake and accumulation. BGT1 also transports ?-aminobutyric acid (GABA) (30) and, in fact, has a higher affinity for GABA than betaine. Expression in oocytes indicates that the BGT-1 protein has both betaine and GABA transport activities that are Cl(-)- as well as Na(+)-dependent and functionally similar to betaine and GABA transport in MDCK cells. Betaine and GABA transport were both Na+- and Cl dependent." $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: Na coupled transport of pyruvate, lactate, and short chain fatty acids, i.e., acetate, propionate, and butyrate mediated by SMCT1 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:1884 NOTES: "The molecular details of the allosteric transitions are not well understood but there is no convincing evidence that ATP hydrolysis serves as an energy source for gating. Rather structural coupling better describes the relationship between ligand binding and transition to the open-state configuration than the involvement of any chemical transformation including ATP hydrolysis. Functionally, the membrane translocation process it mediates, the passive bidirectional diffusion of small inorganic anions. Phosphorylation of the R domain enhances its interaction with other domains, particularly those in the N-terminal half of CFTR." $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:11047 NOTES: This transporter, known as ATB0,+, is an amino acid transporter expressed in the intestine, lung and mammary gland. Functionally, ATB0,+ is a Na+- and Cl--coupled transport system for neutral and cationic amino acids. It plays an important role in the absorption of amino acids in the intestinal tract. In mouse experiment, ATB0,+ could transport carnitine coupled to the transmembrane gradients of Na+ and Cl-. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14679 NOTES: Symport (Na+ dependant) transport $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 NOTES: CNT3, which shows tolerance to Na+ substitution perH+, thus being actually a Na+/H+-coupled transporter. H+-coupled nucleoside transport may be relevant in some tissues, such as the small intestine. Substrate specificity for CNT3 include anticancer and antiviral nucleoside drugs, purine, pyrimidines. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 NOTES: It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, including the glutathione conjugate LTC4, sulfated steroids such as DHEAS and E13S, glucuronides such as 17 estradiol 17-( D-glucuronide) (E217 ), the bile constituents GC and TC, and monoglutamates such as MTX. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23097 NOTES: ENT4, a suitable adenosine transporter, which is known to be H+-coupled and, also transports serotonin, dopamine, neurotoxin 1-methyl-4-phenylpyridinium, monoamines.ENT4 is an important cardiac transporter. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:38 NOTES: ABCA8 is an ATP-dependent drug transporter, substrate speci?city for the transport of [14C]estradiol-b-glucuronide was close to that of ABCC2/MRP-2 within the ABC superfamily and also partly similar to other proteins not belonging to the ABC family (i.e., OATs). Other substrates include taurocholate, and LTC4, para-aminohippuric acid, ochratoxin-A, and estrone sulfate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 NOTES: It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, including the glutathione conjugate LTC4, sulfated steroids such as DHEAS and E13S, glucuronides such as 17 estradiol 17-( D-glucuronide) (E217 ), the bile constituents GC and TC, and monoglutamates such as MTX. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 NOTES: It is shown that ABCC11 or MRP8 is not only able to catalyze the ATP-energized transport of cyclic nucleotides but also that it is able to mediate the transport of a range of lipophilic anions, including the glutathione conjugate LTC4, sulfated steroids such as DHEAS and E13S, glucuronides such as 17 estradiol 17-( D-glucuronide) (E217 ), the bile constituents GC and TC, and monoglutamates such as MTX. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:38 NOTES: ABCA8 is an ATP-dependent drug transporter, substrate speci?city for the transport of [14C]estradiol-b-glucuronide was close to that of ABCC2/MRP-2 within the ABC superfamily and also partly similar to other proteins not belonging to the ABC family (i.e., OATs). Other substrates include taurocholate, and LTC4, para-aminohippuric acid, ochratoxin-A, and estrone sulfate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14639 or HGNC:45 or HGNC:51 or HGNC:53 or HGNC:55 or HGNC:56 or HGNC:74 NOTES: ABCC11 also transports folic acid and its analog MTX, where kinetic analysis suggests that cGMP and DHEAS are good substrates. ABCC11 is an ATP dependant export pump. The multidrug resistance-associated protein (MRP3) plays a role in mediating transport of folates across the basolateral membrane of the proximal small intestine. MRP1 and MRP3 are also localized to the basolateral membrane of renal tubular epithelial cells, MRP2 is localized to the brush border membrane of proximal renal tubular cells. MRP2 would provide a driving force for the secretion of folates into the nephron lumen. Several of the ABC exporters are lowaffinity, high-capacity folate transporters. These include MRP1 MRP5 and ABCG2 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10970 NOTES: OAT1 plays a major role in the renal secretion of preferentially hydrophilic organic anions such as endogenous metabolites, xenobiotics, and drugs. Located on the basolateral side of the proximal tubule cells, it mediates the uptake of these compounds into the cells against a negative membrane potential and in exchange for the Krebs cycle intermediate a-ketoglutarate. OAT1 shows affinity for folic acid. OAT1 mediates sodium dependant tertiary active transport (PMID: 11826280). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10971 or HGNC:10972 or HGNC:18120 NOTES: OAT2, 3 & 4 differ from OAT1 in their counter ion (possible candidiates are glutathione or sulphate) and are sodium independant. OATs have affinity for folate, comparable to reduced folate carrier in live and kidney, also cancer cells (PMID: 12852262). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10956 or HGNC:10959 NOTES: precise transport mechanism of human OATPs have not been elucidated, although, in rats bicarbonate exchange has been shown in vitro experiments (PMID: 9334206), however, suggested to be organic anion antiporter, with bicarbonate and statins (Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, and Removal, Enzyme- and Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues and R. M. Peter, Springer New York: 27-49.). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11045 NOTES: "BGT1 is a betaine/GABA transporter that protects cells in the hypertonic inner medulla by mediating basolateral betaine uptake and accumulation. BGT1 also transports ?-aminobutyric acid (GABA) (30) and, in fact, has a higher affinity for GABA than betaine. Expression in oocytes indicates that the BGT-1 protein has both betaine and GABA transport activities that are Cl(-)- as well as Na(+)-dependent and functionally similar to betaine and GABA transport in MDCK cells. Betaine and GABA transport were both Na+- and Cl dependent." $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 NOTES: CNT3, which shows tolerance to Na+ substitution perH+, thus being actually a Na+/H+-coupled transporter. H+-coupled nucleoside transport may be relevant in some tissues, such as the small intestine. Substrate specificity for CNT3 include anticancer and antiviral nucleoside drugs, purine, pyrimidines. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16029 or HGNC:636 or HGNC:640 or HGNC:643 NOTES: AQP3,7,9 & 10 are aquaglyceroporins $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1663 or HGNC:4433 NOTES: membrane fatty acid transporting protein, transports long chain fatty acids into the cell. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: B0AT2 transports large neutral amino acids and proline in symport with 1Na+ and is only weakly chloride-dependent. Mediates symport mechanism, associated with major depression. Substrates include proline, leucine, valine, isoleucine, methionine. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 NOTES: CNT3, which shows tolerance to Na+ substitution perH+, thus being actually a Na+/H+-coupled transporter. H+-coupled nucleoside transport may be relevant in some tissues, such as the small intestine. Substrate specificity for CNT3 include anticancer and antiviral nucleoside drugs, purine, pyrimidines. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: B0AT2 transports large neutral amino acids and proline in symport with 1Na+ and is only weakly chloride-dependent. Mediates symport mechanism, associated with major depression. Substrates include proline, leucine, valine, isoleucine, methionine. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:38 NOTES: ABCA8 is an ATP-dependent drug transporter, substrate speci?city for the transport of [14C]estradiol-b-glucuronide was close to that of ABCC2/MRP-2 within the ABC superfamily and also partly similar to other proteins not belonging to the ABC family (i.e., OATs). Other substrates include taurocholate, and LTC4, para-aminohippuric acid, ochratoxin-A, and estrone sulfate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 or HGNC:10996 NOTES: FATP1 has an intrinsic acyl-CoA synthetase activity with broad specificity for both long and very long chain fatty acids, including C18:1, C20:4, C16:0, C24:0. Uptake of short chain fatty acid such as C4:0 or C8:0 is unaffected by FATP expression, while uptake of C16:0 ans C18:0 is robustly enhanced. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1663 or HGNC:4433 NOTES: substrates include: very long chain fatty acids, HDL, VLDL, LDL, phospholipids, advanced glycation end products, GHRP, hexarelin, and a derivative with no growth hormone releasing properties, EP 80317, vitamin D $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:14679 NOTES: B0AT2 transports large neutral amino acids and proline in symport with 1Na+ and is only weakly chloride-dependent. Mediates symport mechanism, associated with major depression. Substrates include proline, leucine, valine, isoleucine, methionine. Symport (Na+ dependant) transport $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: It is possible that the SLC5A8 system is involved in the absorption of high pharmacological doses of niacin that are used clinically as a lipid-lowering agent. SLC5A8 is a Na+-coupled transporter for a variety of monocarboxylates such as lactate and pyruvate , short-chain fatty acids , ketone bodies, nicotinate and its structural analogs, and benzoate and its derivatives. It is expressed in the apical membrane of renal tubular epithelial cells throughout the proximal tubule. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:1663 or HGNC:4433 NOTES: membrane fatty acid transporting protein, transports long chain fatty acids into the cell. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 or HGNC:10996 or HGNC:10997 or HGNC:10998 or HGNC:11000 NOTES: FATP1 has an intrinsic acyl-CoA synthetase activity with broad specificity for both long and very long chain fatty acids, including C18:1, C20:4, C16:0, C24:0. Uptake of short chain fatty acid such as C4:0 or C8:0 is unaffected by FATP expression, while uptake of C16:0 ans C18:0 is robustly enhanced. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10995 or HGNC:10998 NOTES: FATP1 has an intrinsic acyl-CoA synthetase activity with broad specificity for both long and very long chain fatty acids, including C18:1, C20:4, C16:0, C24:0. Uptake of short chain fatty acid such as C4:0 or C8:0 is unaffected by FATP expression, while uptake of C16:0 ans C18:0 is robustly enhanced. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29 or HGNC:33 NOTES: ABCA1 can promote phospholipid efflux from cells even when membranes are depleted of cholesterol, consistent with phospholipids being the primary substrate for ABCA1. Although ABCA1 substrates may be diverse, the most physiologically relevant of these are likely to be cholesterol and phospholipids, because overloading cells with cholesterol induces ABCA1 expression and phospholipids are required cofactors for cholesterol transport. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:33 NOTES: ABCA3, a member of the ATP-binding cassette (ABC) transporter superfamily, is expressed exclusively in alveolar type II cells and is localized mostly at the limiting membrane of the lamellar bodies in human lung. These results demonstrate that Phosphatidylcholine and phosphatidylglycerol, both of which contain palmitic acid, are specifically decreased in Abca3 / lung. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: Cumulatively, our data suggest that the protection of hematopoietic stem cells under conditions of low oxygen requires BCRP/ABCG2 and indicates that this protective function of BCRP is linked to its ability to bind to and, probably, remove porphyrin from cells. Our studies also show that heme specifically associates with BCRP and increases BCRP transport activity, since excess heme is toxic to cells (causing ROS prodcution via fenton reaction, iron particpiation and mitochondrial damage). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: FATP1 has an intrinsic acyl-CoA synthetase activity with broad specificity for both long and very long chain fatty acids, including C18:1, C20:4, C16:0, C24:0. Uptake of short chain fatty acid such as C4:0 or C8:0 is unaffected by FATP expression, while uptake of C16:0 ans C18:0 is robustly enhanced. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: Na coupled transport of pyruvate, lactate, and short chain fatty acids, i.e., acetate, propionate, and butyrate mediated by SMCT1 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: B0AT2 transports large neutral amino acids and proline in symport with 1Na+ and is only weakly chloride-dependent. Mediates symport mechanism, associated with major depression. Substrates include proline, leucine, valine, isoleucine, methionine. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19660 NOTES: PAT4 is a high-affinity/low-capacity non-proton-coupled amino acid transporter, ubiquitously expressed. Mediates facilitated diffusion mechanism for proline, tryptophan, alanine. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:29 NOTES: There is evidence that ABCA1 translocates phosphatidylserine to the exofacial side of the plasma membrane, which was proposed to account for ABCA1-mediated cellular apolipoprotein binding and cholesterol efflux. Although ABCA1 substrates may be diverse, the most physiologically relevant of these are likely to be cholesterol and phospholipids, because overloading cells with cholesterol induces ABCA1 expression and phospholipids are required cofactors for cholesterol transport. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:19119 NOTES: Na coupled transport of pyruvate, lactate, and short chain fatty acids, i.e., acetate, propionate, and butyrate mediated by SMCT1 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:34 NOTES: Accumulated biochemical evidence suggests all-trans-retinal and N-retinylidene -PE as the substrates but provides no clues about the direction of transport. The assumption that ABCA4 translocates the substrate from the luminal to the cytoplasmic side of the ROS disk is thus based on the well established logistics of the visual cycle in rods, according to which all-trans-retinal undergoes reduction to all-trans-retinol by all-trans-retinol dehydrogenase (atRDH) residing on the cytoplasmic side, and is then transported to the cells of the retinal pigment epithelium (RPE) for further processing. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:23097 NOTES: ENT4, a suitable adenosine transporter, which is known to be H+-coupled and, also transports serotonin, dopamine, neurotoxin 1-methyl-4-phenylpyridinium, monoamines.ENT4 is an important cardiac transporter. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:38 NOTES: ABCA8 is an ATP-dependent drug transporter, substrate speci?city for the transport of [14C]estradiol-b-glucuronide was close to that of ABCC2/MRP-2 within the ABC superfamily and also partly similar to other proteins not belonging to the ABC family (i.e., OATs). Other substrates include taurocholate, and LTC4, para-aminohippuric acid, ochratoxin-A, and estrone sulfate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 NOTES: CNT3, which shows tolerance to Na+ substitution perH+, thus being actually a Na+/H+-coupled transporter. H+-coupled nucleoside transport may be relevant in some tissues, such as the small intestine. Substrate specificity for CNT3 include anticancer and antiviral nucleoside drugs, purine, pyrimidines. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10996 or HGNC:10997 or HGNC:10998 NOTES: substrates for FATP2 include C16:0, C24:0, bile acids (3a,7a,12a-trihydroxy-5 cholestanoic acid, 3a,7a-dihydroxy-5 cholestanoic acid), other long chain fatty acids. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 NOTES: CNT3, which shows tolerance to Na+ substitution perH+, thus being actually a Na+/H+-coupled transporter. H+-coupled nucleoside transport may be relevant in some tissues, such as the small intestine. Substrate specificity for CNT3 include anticancer and antiviral nucleoside drugs, purine, pyrimidines. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: B0AT2 transports large neutral amino acids and proline in symport with 1Na+ and is only weakly chloride-dependent. Mediates symport mechanism, associated with major depression. Substrates include proline, leucine, valine, isoleucine, methionine. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:26441 and HGNC:29437 NOTES: We show in this study that the product of Slc6a18 called XT2 is a Na+- and Cl dependent neutral amino acid transporter and displays, compared with B0AT1, a lower K0.5 and a different substrate selectivity. Because of its broad transport selectivity for neutral amino acids, we suggest that it be renamed B0AT3. Exclusive to kidney, responsible for re-absorption of neutral amino acids (gly, ala, val, leu, ile, met, ser, cys, asn, gln, phe, tyr, trp, arg, glu). $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Cytochrome P450 3A (CYP3A) is the subfamily of P450 isoforms responsible for the metabolism of tacrolimus (Sattler et al., 1992; Bader et al., 2000). Four primary metabolites and four secondary metabolites have been identified in liver microsomal incubations (Iwasaki et al., 1993, 1995). The primary metabolites, which account for most of the metabolic clearance of tacrolimus, are 13-O-desmethyl tacrolimus (13-DMT or M-I), 15-O-desmethyl tacrolimus (15-DMT or M-III), 31-O-desmethyl tacrolimus (31-DMT or M-II), and 12-hydroxy tacrolimus (12-HT or M-VI). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The metabolites of tacrolimus are better substrates of another active transporter than the parent, thus avoiding inhibition of metabolite efflux by the high concentrations of the parent drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Tacrolimus is a drug with high permeability to the intestinal membrane and the low oral dose, its absorption is considered to complete quickly in the upper intestine after oral administration. The authors have shown that tacrolimus is an intrinsically high-permeability drug, but shows significant site dependence in intestinal permeability. The permeability was found to be highest at jejunum followed by ileum and colon. Tacrolimus is metabolized in the small intestine, and the metabolites enter portal blood or lumen. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: During an 11-day period, 78 to 95% of the oral dose was excreted predominantly in the feces (urinary excretion accounted for less than 3% of total radioactivity). In both urine and feces, only trace amounts of unchanged drug were detected (0.3 and 0.5%, respectively) indicating extensive metabolism. These data indicate that bile is the principal route of elimination. Renal clearance accounts for less than 1% of the total body clearance, suggesting that renal impairment is unlikely to affect the disposition of tacrolimus. The metabolites found in blood were demethyl-tacrolimus and demethyl-hydroxy-tacrolimus, while in urine tacrolimus and eight of its metabolites were detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: During an 11-day period, 78 to 95% of the oral dose was excreted predominantly in the feces (urinary excretion accounted for less than 3% of total radioactivity). In both urine and feces, only trace amounts of unchanged drug were detected (0.3 and 0.5%, respectively) indicating extensive metabolism. These data indicate that bile is the principal route of elimination. Renal clearance accounts for less than 1% of the total body clearance, suggesting that renal impairment is unlikely to affect the disposition of tacrolimus. The metabolites found in blood were demethyl-tacrolimus and demethyl-hydroxy-tacrolimus, while in urine tacrolimus and eight of its metabolites were detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Cytochrome P450 3A (CYP3A) is the subfamily of P450 isoforms responsible for the metabolism of tacrolimus (Sattler et al., 1992; Bader et al., 2000). Four primary metabolites and four secondary metabolites have been identified in liver microsomal incubations (Iwasaki et al., 1993, 1995). The primary metabolites, which account for most of the metabolic clearance of tacrolimus, are 13-O-desmethyl tacrolimus (13-DMT or M-I), 15-O-desmethyl tacrolimus (15-DMT or M-III), 31-O-desmethyl tacrolimus (31-DMT or M-II), and 12-hydroxy tacrolimus (12-HT or M-VI). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The metabolites of tacrolimus are better substrates of another active transporter than the parent, thus avoiding inhibition of metabolite efflux by the high concentrations of the parent drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Tacrolimus is a drug with high permeability to the intestinal membrane and the low oral dose, its absorption is considered to complete quickly in the upper intestine after oral administration. The authors have shown that tacrolimus is an intrinsically high-permeability drug, but shows significant site dependence in intestinal permeability. The permeability was found to be highest at jejunum followed by ileum and colon. Tacrolimus is metabolized in the small intestine, and the metabolites enter portal blood or lumen. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Midazolam is a commonly used short-acting benzodiazepine that is metabolized to one major metabolite, 1_x001A_-hydroxymidazolam, and a minor metabolite, 4-hydroxymidazolam. These metabolites are then rapidly converted to their glucuronide conjugates and excreted into the urine. Secondary metabolism of one of the primary metabolites to 1_x001A_,4-dihydroxymidazolam also occurs. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Midazolam is a commonly used short-acting benzodiazepine that is metabolized to one major metabolite, 1_x001A_-hydroxymidazolam, and a minor metabolite, 4-hydroxymidazolam. These metabolites are then rapidly converted to their glucuronide conjugates and excreted into the urine. Secondary metabolism of one of the primary metabolites to 1_x001A_,4-dihydroxymidazolam also occurs. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Diffusion reaction added based on physiologic evidence. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The metabolites of tacrolimus are better substrates of another active transporter than the parent, thus avoiding inhibition of metabolite efflux by the high concentrations of the parent drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Tacrolimus is a drug with high permeability to the intestinal membrane and the low oral dose, its absorption is considered to complete quickly in the upper intestine after oral administration. The authors have shown that tacrolimus is an intrinsically high-permeability drug, but shows significant site dependence in intestinal permeability. The permeability was found to be highest at jejunum followed by ileum and colon. Tacrolimus is metabolized in the small intestine, and the metabolites enter portal blood or lumen. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: During an 11-day period, 78 to 95% of the oral dose was excreted predominantly in the feces (urinary excretion accounted for less than 3% of total radioactivity). In both urine and feces, only trace amounts of unchanged drug were detected (0.3 and 0.5%, respectively) indicating extensive metabolism. These data indicate that bile is the principal route of elimination. Renal clearance accounts for less than 1% of the total body clearance, suggesting that renal impairment is unlikely to affect the disposition of tacrolimus. The metabolites found in blood were demethyl-tacrolimus and demethyl-hydroxy-tacrolimus, while in urine tacrolimus and eight of its metabolites were detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: During an 11-day period, 78 to 95% of the oral dose was excreted predominantly in the feces (urinary excretion accounted for less than 3% of total radioactivity). In both urine and feces, only trace amounts of unchanged drug were detected (0.3 and 0.5%, respectively) indicating extensive metabolism. These data indicate that bile is the principal route of elimination. Renal clearance accounts for less than 1% of the total body clearance, suggesting that renal impairment is unlikely to affect the disposition of tacrolimus. The metabolites found in blood were demethyl-tacrolimus and demethyl-hydroxy-tacrolimus, while in urine tacrolimus and eight of its metabolites were detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The metabolites of tacrolimus are better substrates of another active transporter than the parent, thus avoiding inhibition of metabolite efflux by the high concentrations of the parent drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Tacrolimus is a drug with high permeability to the intestinal membrane and the low oral dose, its absorption is considered to complete quickly in the upper intestine after oral administration. The authors have shown that tacrolimus is an intrinsically high-permeability drug, but shows significant site dependence in intestinal permeability. The permeability was found to be highest at jejunum followed by ileum and colon. Tacrolimus is metabolized in the small intestine, and the metabolites enter portal blood or lumen. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12536 or HGNC:12553 or HGNC:12554 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein identified, however midazolam has high lipophilicity to diffuse accross biological membranes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Midazolam is a commonly used short-acting benzodiazepine that is metabolized to one major metabolite, 1_x001A_-hydroxymidazolam, and a minor metabolite, 4-hydroxymidazolam. These metabolites are then rapidly converted to their glucuronide conjugates and excreted into the urine. Secondary metabolism of one of the primary metabolites to 1_x001A_,4-dihydroxymidazolam also occurs. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein identified, however midazolam has high lipophilicity to diffuse accross biological membranes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: interconversion of lactone and acid forms of atorvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12535 or HGNC:12536 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:53 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. Glucuronidated metabolites were found in the bile of t-tube drainage patients. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: interconversion of lactone and acid forms of atorvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:53 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12535 or HGNC:12536 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. One proton added to product side for element and charge balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:53 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. Glucuronidated metabolites were found in the bile of t-tube drainage patients. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:53 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The metabolites of tacrolimus are better substrates of another active transporter than the parent, thus avoiding inhibition of metabolite efflux by the high concentrations of the parent drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Tacrolimus is a drug with high permeability to the intestinal membrane and the low oral dose, its absorption is considered to complete quickly in the upper intestine after oral administration. The authors have shown that tacrolimus is an intrinsically high-permeability drug, but shows significant site dependence in intestinal permeability. The permeability was found to be highest at jejunum followed by ileum and colon. Tacrolimus is metabolized in the small intestine, and the metabolites enter portal blood or lumen. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 NOTES: CYP3A4 is involved in formation of hydroxy metabolites. Pravastatin yielded 12 different metabolites in urine, when administered orally. One proton added to the product side for element and charge balancing. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: transporter not identified, based on physiological evidence $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 NOTES: Pravastatin and several other statins are actively transported from the portal blood into hepatocytes by the uptake transporter OATP1B1. Transporters that may play a limited role in the disposition of pravastatin include the uptake transporters OATP2B1 [previously known as OATP-B (SLCO2B1)]. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2625 or HGNC:2637 or HGNC:2638 NOTES: The 3'',5''-dihydrodiol Simvastatin, an inactive metabolite, has not been reported previously. This metabolite also has been identified upon incubation of Simvastatin with rat liver microsomal preparations (unpublished results). One water molecule added to substrate side for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: Canalicular excretion of biliary constituents is the rate-limiting step of bile formation since biliary constituents are excreted against high concentration gradients into bile. ABC transporters on the canalicular membrane (facing bile) export drugs into the bile. Overlapping substrate specificities between the uptake transporters (OATP family) and efflux transporters (MRP family) make the vectorial transport of organic anions highly efficient. Similar transport systems also are present in the intestine, renal tubules, and endothelial cells of the brain capillaries. Further, ABCB1 has been shown to interact with simvastatin, simvastatin acid, and atorvastatin (PMID: 15497697). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9206 NOTES: liver microsomes prepared from rats, mice, and humans catalyze the biotransformation of lovastatin to form 6_x001A_beta-hydroxy, 6_x001A_-exomethylene, and 3_x001A_-hydroxy products. The hydroxy acid forms of these metabolites are also inhibitors of HMG-CoA reductase. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 1 GENE_ASSOCIATION: NOTES: added for modeling purpose, this compound has not been detected yet. But this is formed in the human liver, may be excreted in trace amounts that could not be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 and HGNC:92 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or (HGNC:2645 and HGNC:2646) NOTES: CYP3A4 is involved in formation of hydroxy metabolites. Pravastatin yielded 12 different metabolites in urine, when administered orally. Alternatively, omega oxidation of pravastatin yields the same product. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: transporter not identified, based on physiological evidence $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 NOTES: Pravastatin and several other statins are actively transported from the portal blood into hepatocytes by the uptake transporter OATP1B1. Transporters that may play a limited role in the disposition of pravastatin include the uptake transporters OATP2B1 [previously known as OATP-B (SLCO2B1)]. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: this acid form of simvastatin has no inhibitory action on HMG-CoA reductase, but found in biliary secretion. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Canalicular excretion of biliary constituents is the rate-limiting step of bile formation since biliary constituents are excreted against high concentration gradients into bile. ABC transporters on the canalicular membrane (facing bile) export drugs into the bile. Overlapping substrate specificities between the uptake transporters (OATP family) and efflux transporters (MRP family) make the vectorial transport of organic anions highly efficient. Similar transport systems also are present in the intestine, renal tubules, and endothelial cells of the brain capillaries. Further, ABCB1 has been shown to interact with simvastatin, simvastatin acid, and atorvastatin (PMID: 15497697). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2625 or HGNC:2637 or HGNC:2638 NOTES: CYP3A4 exhibited higher affinity (> 3 fold) for Simvastatin than CYP3A5 (PMID: 9321523). Both the lactone and acid forms of simvastatin and its close structural analogue lovastatin markedly inhibited CYP2C8 activity (PMID: 15998357). CYP2D6 gene product may also metabolize simvastatin (PMID: 9217719). Additionally, bacterial CYP102A1 has been shown to produce human simvastatin and lovastatin metabolites like 6beta-hydroxy and 6''-exomethylene metabolites (PMID: 20962060). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: 70% of the radioactivity in pooled human urine samples was attributed to the parent drug (Singhvi et al., 1990). 3alpha-Iso-pravastatin and 6-epi-pravastatin had the highest concentrations of all metabolites in urine (Everett et al., 1991). Non-CYP-dependent pathways for formation of the major pravastatin metabolite 3alpha-iso-pravastatin have been described. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: transporter not identified, based on physiological evidence $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 NOTES: Pravastatin and several other statins are actively transported from the portal blood into hepatocytes by the uptake transporter OATP1B1. Transporters that may play a limited role in the disposition of pravastatin include the uptake transporters OATP2B1 [previously known as OATP-B (SLCO2B1)]. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2610 or HGNC:2631 NOTES: CYP2A6 seems to oxidize paracetamol preferentially to 3-OH-acetaminophen, which is a nontoxic metabolite in a 3:1 ratio to NAPQI. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized in the liver (Davis et al., 2000) to at least eight identified metabolites (Oida et al., 1985; Campbell et al., 1991; Taylor et al., 1996). Tolylmethyl hydroxylation (to form methyl-hydroxy-gliclazide) followed by oxidation to the corresponding carboxylic acid (to form carboxygliclazide) is the major metabolic pathway of gliclazide. Gliclazide is extensively metabolised to at least 8 identified metabolites by three major metabolic routes: (a) oxidation of the tolyl group to carboxylic acid; (b) hydroxylation of the azabicyclo-octyl moiety; and (c) glucuronidation. The predominance of the other (beta-hydroxyl metabolites over the alpha-isomers suggests that it is probably the 4-beta-hydroxyl metabolite. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: interconversion of lactone and acid forms of atorvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:53 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: interconversion of lactone and acid forms of atorvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:53 NOTES: biliary route was the major route of atorvastatin and its metabolites. 1% od orally administered atorvastatin was excreted in urine. Renal route is a minor route of elemination of atorvastatin and its metabolites. ABCC2 aids in canalicular transport of this drug and its metabolites. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Diffusion reaction added based on physiologic evidence. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12536 or HGNC:12553 or HGNC:12554 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Midazolam is a commonly used short-acting benzodiazepine that is metabolized to one major metabolite, 1_x001A_-hydroxymidazolam, and a minor metabolite, 4-hydroxymidazolam. These metabolites are then rapidly converted to their glucuronide conjugates and excreted into the urine. Secondary metabolism of one of the primary metabolites to 1_x001A_,4-dihydroxymidazolam also occurs. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Diffusion reaction added based on physiologic evidence. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 NOTES: CYP3A4 is involved in formation of hydroxy metabolites. Pravastatin yielded 12 different metabolites in urine, when administered orally. Two water molecules added to product side for element balancing. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 NOTES: CYP3A4 is involved in formation of hydroxy metabolites. Pravastatin yielded 12 different metabolites in urine, when administered orally. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2623 or HGNC:2625 or HGNC:2637 NOTES: In vitro metabolism studies, using human liver microsomal preparations, have demonstrated that fluvastatin is metabolised to 3 primary metabolites, 5-hydroxy-fluvastatin, 6-hydroxy-fluvastatin and N-desisopropyl-fluvastatin. Main enzymes involved are CYP2C9, CYP3A4, and CYP2C8. The most relevant enzyme for in vivo metabolic clearance of fluvastatin is predicted to be CYP2C9, because it is the only one forming all three metabolites found in vivo. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: exact ABC transporter not known, but active transport is involved. Biliary transport system involves ATP dependant transporters. Fluvastatin and its major metabolites are eliminated primarily via the bile and recovered in the faeces, with 92 _x001A_ 10% of a 10mg oral radiolabelled fluvastatin dose being excreted in the faeces and 4.9 _x001A_ 1.6% in the urine. The predominant metabolites detected in the faeces after single and multiple oral doses were 5-hydroxy-fluvastatin, 6-hydroxy-fluvastatin and des-isopropyl-fluvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized in the liver (Davis et al., 2000) to at least eight identified metabolites (Oida et al., 1985; Campbell et al., 1991; Taylor et al., 1996). Tolylmethyl hydroxylation (to form methyl-hydroxy-gliclazide) followed by oxidation to the corresponding carboxylic acid (to form carboxygliclazide) is the major metabolic pathway of gliclazide. Gliclazide is extensively metabolised to at least 8 identified metabolites by three major metabolic routes: (a) oxidation of the tolyl group to carboxylic acid; (b) hydroxylation of the azabicyclo-octyl moiety; and (c) glucuronidation. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2621 or HGNC:2622 or HGNC:2623 or HGNC:2625 NOTES: Gliclazide is extensively metabolized in the liver (Davis et al., 2000) to at least eight identified metabolites (Oida et al., 1985; Campbell et al., 1991; Taylor et al., 1996). Tolylmethyl hydroxylation (to form methyl-hydroxy-gliclazide) followed by oxidation to the corresponding carboxylic acid (to form carboxygliclazide) is the major metabolic pathway of gliclazide. Gliclazide is extensively metabolised to at least 8 identified metabolites by three major metabolic routes: (a) oxidation of the tolyl group to carboxylic acid; (b) hydroxylation of the azabicyclo-octyl moiety; and (c) glucuronidation. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: 6''-beta-carboxy simvastatin acid has 40% inhibitory action as simvastatin acid for HMG-CoA reductase. Also found in biliary excretion. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Canalicular excretion of biliary constituents is the rate-limiting step of bile formation since biliary constituents are excreted against high concentration gradients into bile. ABC transporters on the canalicular membrane (facing bile) export drugs into the bile. Overlapping substrate specificities between the uptake transporters (OATP family) and efflux transporters (MRP family) make the vectorial transport of organic anions highly efficient. Similar transport systems also are present in the intestine, renal tubules, and endothelial cells of the brain capillaries. Further, ABCB1 has been shown to interact with simvastatin, simvastatin acid, and atorvastatin (PMID: 15497697). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2625 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: transporter not identified, based on physiological evidence $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: 70% of the radioactivity in pooled human urine samples was attributed to the parent drug (Singhvi et al., 1990). 3alpha-Iso-pravastatin and 6-epi-pravastatin had the highest concentrations of all metabolites in urine (Everett et al., 1991). Non-CYP-dependent pathways for formation of the major pravastatin metabolite 3alpha-iso-pravastatin have been described. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 NOTES: Pravastatin and several other statins are actively transported from the portal blood into hepatocytes by the uptake transporter OATP1B1. Transporters that may play a limited role in the disposition of pravastatin include the uptake transporters OATP2B1 [previously known as OATP-B (SLCO2B1)]. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9206 NOTES: The principal route of cytochrome P-450 metabolism in rodents, dog, and human was hydroxylation at the 6_x001A_-position. The resulting bioactive 6_x001A_-hydroxy metabolite, an allylic tertiary carbinol, has been shown to be extremely unstable, undergoing a rapid acid-catalyzed rearrangement to its more stable but inactive 3_x001A_-hydroxy-iso-i4_x001A_5_x001A_-isomer. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: 6''-beta-hydroxy-methyl simvastatin acid has 90% inhibitory capacity as simvastatin acid form for HMG-CoA reductase. Also found in biliary excretion. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Canalicular excretion of biliary constituents is the rate-limiting step of bile formation since biliary constituents are excreted against high concentration gradients into bile. ABC transporters on the canalicular membrane (facing bile) export drugs into the bile. Overlapping substrate specificities between the uptake transporters (OATP family) and efflux transporters (MRP family) make the vectorial transport of organic anions highly efficient. Similar transport systems also are present in the intestine, renal tubules, and endothelial cells of the brain capillaries. Further, ABCB1 has been shown to interact with simvastatin, simvastatin acid, and atorvastatin (PMID: 15497697). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2625 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: biliary excretion of the acid forms of the simvastatin metabolites were observed. 6''-beta-hydroxy simvastatin acid inhibits HMG-CoA reductase (50% inhibitory action of simvastatin dihydroxy form). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Canalicular excretion of biliary constituents is the rate-limiting step of bile formation since biliary constituents are excreted against high concentration gradients into bile. ABC transporters on the canalicular membrane (facing bile) export drugs into the bile. Overlapping substrate specificities between the uptake transporters (OATP family) and efflux transporters (MRP family) make the vectorial transport of organic anions highly efficient. Similar transport systems also are present in the intestine, renal tubules, and endothelial cells of the brain capillaries. Further, ABCB1 has been shown to interact with simvastatin, simvastatin acid, and atorvastatin (PMID: 15497697). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2625 or HGNC:2637 or HGNC:2638 NOTES: CYP3A4 exhibited higher affinity (> 3 fold) for Simvastatin than CYP3A5 (PMID: 9321523). Both the lactone and acid forms of simvastatin and its close structural analogue lovastatin markedly inhibited CYP2C8 activity (PMID: 15998357). CYP2D6 gene product may also metabolize simvastatin (PMID: 9217719). Additionally, bacterial CYP102A1 has been shown to produce human simvastatin and lovastatin metabolites like 6beta-hydroxy and 6''-exomethylene metabolites (PMID: 20962060). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9206 NOTES: lovastatin is a pro-drug and is converted from its lactone form to its active open acid form by esterases. Bulky drug substrates such as lovastatin, spironolactone, and canrenone were hydrolyzed only by PON3. This active form of lovastatin, i.e., hydroxy acid is the potent inhibitor of HMG-CoA reductase (E.C. 1.1.1.34), there by, inhibiting cholesterol biosynthesis (PMID: 1929403). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:40 NOTES: for biliary excretion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2625 or HGNC:2637 or HGNC:2638 NOTES: CYP3A4 exhibited higher affinity (> 3 fold) for Simvastatin than CYP3A5 (PMID: 9321523). Both the lactone and acid forms of simvastatin and its close structural analogue lovastatin markedly inhibited CYP2C8 activity (PMID: 15998357). CYP2D6 gene product may also metabolize simvastatin (PMID: 9217719). Additionally, bacterial CYP102A1 has been shown to produce human simvastatin and lovastatin metabolites like 6beta-hydroxy and 6''-exomethylene metabolites (PMID: 20962060). One water molecule added to product side for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 NOTES: In vitro metabolism studies, using human liver microsomal preparations, have demonstrated that fluvastatin is metabolised to 3 primary metabolites, 5-hydroxy-fluvastatin, 6-hydroxy-fluvastatin and N-desisopropyl-fluvastatin. Main enzymes involved are CYP2C9, CYP3A4, and CYP2C8. The most relevant enzyme for in vivo metabolic clearance of fluvastatin is predicted to be CYP2C9, because it is the only one forming all three metabolites found in vivo. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: exact ABC transporter not known, but active transport is involved. Biliary transport system involves ATP dependant transporters. Fluvastatin and its major metabolites are eliminated primarily via the bile and recovered in the faeces, with 92 _x001A_ 10% of a 10mg oral radiolabelled fluvastatin dose being excreted in the faeces and 4.9 _x001A_ 1.6% in the urine. The predominant metabolites detected in the faeces after single and multiple oral doses were 5-hydroxy-fluvastatin, 6-hydroxy-fluvastatin and des-isopropyl-fluvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized in the liver (Davis et al., 2000) to at least eight identified metabolites (Oida et al., 1985; Campbell et al., 1991; Taylor et al., 1996). Tolylmethyl hydroxylation (to form methyl-hydroxy-gliclazide) followed by oxidation to the corresponding carboxylic acid (to form carboxygliclazide) is the major metabolic pathway of gliclazide. Gliclazide is extensively metabolised to at least 8 identified metabolites by three major metabolic routes: (a) oxidation of the tolyl group to carboxylic acid; (b) hydroxylation of the azabicyclo-octyl moiety; and (c) glucuronidation. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2621 or HGNC:2622 or HGNC:2623 NOTES: Gliclazide is extensively metabolized in the liver (Davis et al., 2000) to at least eight identified metabolites (Oida et al., 1985; Campbell et al., 1991; Taylor et al., 1996). Tolylmethyl hydroxylation (to form methyl-hydroxy-gliclazide) followed by oxidation to the corresponding carboxylic acid (to form carboxygliclazide) is the major metabolic pathway of gliclazide. Gliclazide is extensively metabolised to at least 8 identified metabolites by three major metabolic routes: (a) oxidation of the tolyl group to carboxylic acid; (b) hydroxylation of the azabicyclo-octyl moiety; and (c) glucuronidation. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 NOTES: CYP3A4 is involved in formation of hydroxy metabolites. Pravastatin yielded 12 different metabolites in urine, when administered orally. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:16484 NOTES: concentrative nuceloside transporters transport nucleosides and their derivatives like allopurinol and 5-flurouracil, and are located at the apical surface of the enterocytes $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: Manov et al concluded that acetaminophen is a P-glycoprotein substrate and P-glycoprotein is involved in acetaminophen transport and toxicity in HepG2 and Hep3B cells. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:12530 or HGNC:12538 or HGNC:12541 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the basolateral surface aids in efflux of acetaminophen derivatives into the portal blood for uptake into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the sinusoidal surface of hepatocytes, aid in uptake of acetaminophen derivatives from the portal blood into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the basolateral surface aids in efflux of acetaminophen derivatives into the portal blood for uptake into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the sinusoidal surface of hepatocytes, aid in uptake of acetaminophen derivatives from the portal blood into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11453 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: In rabbits, it is absorbed passively from the small intestine. In rats, suggest that the uptake of paracetamol is by a passive transport process and confirm the efficiency of paracetamol absorption observed indirectly by others. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the sinusoidal surface of hepatocytes, aid in uptake of acetaminophen derivatives from the portal blood into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:11001 or HGNC:11002 or HGNC:16484 NOTES: concentrative nuceloside transporters transport nucleosides and their derivatives like allopurinol and 5-flurouracil, and are located at the apical surface of the enterocytes $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12805 or HGNC:553 NOTES: catalyzed by xanthine oxidase or aldehyde oxidoreductase. Approximately 90mg of oxypurinol formed from 100mg of allopurinol. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10971 NOTES: OAT2 transporter mediated uptake of drugs at the sinusoidal membrane. Operates in an antiport system, however, counter ion species remains unknown. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Alternative mechanism for formation of AM19 metabolite of cyclosporine, based on in vitro studies using human liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Christians et al. (1991e) proposed a metabolic pathway after metabolism of cyclosporin metabolites with a defined structure by human liver microsomes, identification of the metabolites generated and further metabolism of these isolated metabolites. 1986). It consists of four main branches originating from metabolites AM l, AM9, AM lc and AM4N of which AM 1, AM9 and AM4N are considered to be first generation metabolites, originating directly from cyclosporin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transporter identified, reaction added based on physiological evidence. The following metabolites were generated by human small intestinal microsomes: AM1, AM9, AM4N, AM1A, and AM1AL. The metabolite pattern was similar to that after metabolism by liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Christians et al. (1991e) proposed a metabolic pathway after metabolism of cyclosporin metabolites with a defined structure by human liver microsomes, identification of the metabolites generated and further metabolism of these isolated metabolites. 1986). It consists of four main branches originating from metabolites AM l, AM9, AM lc and AM4N of which AM 1, AM9 and AM4N are considered to be first generation metabolites, originating directly from cyclosporin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transporter identified, reaction added based on physiological evidence. The following metabolites were generated by human small intestinal microsomes: AM1, AM9, AM4N, AM1A, and AM1AL. The metabolite pattern was similar to that after metabolism by liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Alternative mechanism for formation of AM1c9 metabolite of cyclosporine, based on in vitro studies using human liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Christians et al. (1991e) proposed a metabolic pathway after metabolism of cyclosporin metabolites with a defined structure by human liver microsomes, identification of the metabolites generated and further metabolism of these isolated metabolites. 1986). It consists of four main branches originating from metabolites AM l, AM9, AM lc and AM4N of which AM 1, AM9 and AM4N are considered to be first generation metabolites, originating directly from cyclosporin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Christians et al. (1991e) proposed a metabolic pathway after metabolism of cyclosporin metabolites with a defined structure by human liver microsomes, identification of the metabolites generated and further metabolism of these isolated metabolites. 1986). It consists of four main branches originating from metabolites AM l, AM9, AM lc and AM4N of which AM 1, AM9 and AM4N are considered to be first generation metabolites, originating directly from cyclosporin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transporter identified, reaction added based on physiological evidence. The following metabolites were generated by human small intestinal microsomes: AM1, AM9, AM4N, AM1A, and AM1AL. The metabolite pattern was similar to that after metabolism by liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Christians et al. (1991e) proposed a metabolic pathway after metabolism of cyclosporin metabolites with a defined structure by human liver microsomes, identification of the metabolites generated and further metabolism of these isolated metabolites. 1986). It consists of four main branches originating from metabolites AM l, AM9, AM lc and AM4N of which AM 1, AM9 and AM4N are considered to be first generation metabolites, originating directly from cyclosporin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transporter identified, reaction added based on physiological evidence. The following metabolites were generated by human small intestinal microsomes: AM1, AM9, AM4N, AM1A, and AM1AL. The metabolite pattern was similar to that after metabolism by liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 or HGNC:2638 NOTES: Christians et al. (1991e) proposed a metabolic pathway after metabolism of cyclosporin metabolites with a defined structure by human liver microsomes, identification of the metabolites generated and further metabolism of these isolated metabolites. 1986). It consists of four main branches originating from metabolites AM l, AM9, AM lc and AM4N of which AM 1, AM9 and AM4N are considered to be first generation metabolites, originating directly from cyclosporin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transporter identified, reaction added based on physiological evidence. The following metabolites were generated by human small intestinal microsomes: AM1, AM9, AM4N, AM1A, and AM1AL. The metabolite pattern was similar to that after metabolism by liver microsomes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10922 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10962 NOTES: OATP2B1 expressed at the apical surface of enterocytes mediates uptake of atrovastatin. The transporter is an organic anion antiporter. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: interconversion of lactone and acid forms of atorvastatin. $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: OATP2B1 is more significant for intestinal uptake of rosuvastatin, fluvastatin and pravastatin. Atorvastatin, cerivastatin and pitavastatin undergo more often passive diffusion. The intestinal permeability of atorvastatin is high at the physiologically relevant intestinal luminal pH of 6-6.5 and predicts complete absoprtion (PMID: 14531725). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: Wu et al showed that atorvastatin was secreted across the apical surface of Caco-2 cell monolayers via P-glycoprotein-mediated efflux. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12535 or HGNC:12536 or HGNC:12540 or HGNC:12554 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12535 or HGNC:12536 or HGNC:12541 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12535 or HGNC:12536 or HGNC:12540 or HGNC:12554 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10959 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: interconversion of lactone and acid forms of atorvastatin. $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Atorvastatin, cerivastatin and pitavastatin undergo more often passive diffusion. The intestinal permeability of atorvastatin is high at the physiologically relevant intestinal luminal pH of 6-6.5 and predicts complete absoprtion (PMID: 14531725). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: Bogman et al. (2001) confirmed that simvastatin, lovastatin, and atorvastatin were P-glycoprotein inhibitors, whereas pravastatin was not. The lactone form of all three statins (i.e., atorvastatin, lovastatin, and simvastatin) exhibited more potent P-glycoprotein inhibition compared with their corresponding acid forms. The IC50 values were similar among the three lactones and up to 10-fold lower compared with their acid form. Pravastatin (acid form only), although much more hydrophilic compared with other three statins in the acid form, showed similar weak inhibition. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12535 or HGNC:12541 or HGNC:12554 NOTES: The results demonstrate that the stereoselectivity in glucuronidation. S-(+)-Ibuprofen was preferentially conjugated. Following oral administration of ibuprofen, approximately 80% of the dose is recovered in urine as the hydroxy and carboxy metabolites, respectively, as a mixture of conjugated and unconjugated forms. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 NOTES: M-24 results from the combination of both reactions as a secondary minor metabolite that is not detectable in human plasma. The HMG-CoA reductase inhibitory activity of the metabolites M-1, M-23 and M-24 is similar to that of the parent drug, and contributes 20 to 25%of totalHMG-CoAreductase inhibitory activity in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: both urinary and biliary routes of elimination of the degradative metabolites of cerivastatin has been shown. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 NOTES: M-24 results from the combination of both reactions as a secondary minor metabolite that is not detectable in human plasma. The HMG-CoA reductase inhibitory activity of the metabolites M-1, M-23 and M-24 is similar to that of the parent drug, and contributes 20 to 25%of totalHMG-CoAreductase inhibitory activity in plasma. CH2O not accounted for in product side, hence, methyl group acceptor (SAH) and donor (SAM) added, additionally, h2o2 added instead of water for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The observed high liver enrichment of cerivastatin can be explained by an active transport mechanism for hepatic uptake. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 NOTES: The formation of M-23 was predominantly mediated by CYP2C8, whereas both CYP2C8 and CYP3A4 catalyzed the formation of M-1. The HMG-CoA reductase inhibitory activity of the metabolites M-1, M-23 and M-24 is similar to that of the parent drug, and contributes 20 to 25%of totalHMG-CoAreductase inhibitory activity in plasma. CH2O not accounted for in product side, hence, methyl group acceptor (SAH) and donor (SAM) added, additionally, h2o2 added instead of water for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:4696 NOTES: glucuronidation is a mjor pathway for inter-conversion of free acid form and lactone forms, and subsequent elimination of the drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: ABCG2 localized at the caanlicular side of hepatocytes, acts as an efflux transporter of cerivastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 NOTES: The formation of M-23 was predominantly mediated by CYP2C8, whereas both CYP2C8 and CYP3A4 catalyzed the formation of M-1. The HMG-CoA reductase inhibitory activity of the metabolites M-1, M-23 and M-24 is similar to that of the parent drug, and contributes 20 to 25%of totalHMG-CoAreductase inhibitory activity in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:4696 NOTES: glucuronidation is a mjor pathway for inter-conversion of free acid form and lactone forms, and subsequent elimination of the drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: ABCG2 localized at the caanlicular side of hepatocytes, acts as an efflux transporter of cerivastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: both urinary and biliary routes of elimination of the degradative metabolites of cerivastatin has been shown. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: ABCG2 localized at the caanlicular side of hepatocytes, acts as an efflux transporter of cerivastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: both urinary and biliary routes of elimination of the degradative metabolites of cerivastatin has been shown. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: transporter not identified, based on physiological evidence $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10959 NOTES: OATP1B1, an organic anion antiporter, responsible for cerivastatin uptake by the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Hepatic ABCB1 transporter is inhibited by cyclosporine. In rat studies, Cyclosporine A entered hepatocytes by passive diffusion and was secreted by p-glycoprotein (PMID: 9626758). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Since cyclosporin is relatively lipophilic passive diffusion through biological membranes including the colonic enterocyte wall and the blood-brain barrier would be expected. However, penetration of cyclosporin through the blood-brain barrier is negligible. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: cyclosporine is a P-gp substrate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12535 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12535 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:119 and HGNC:3247 and HGNC:5213 and HGNC:82 NOTES: probabaly beta-oxidation (as reaction involves loss of carbon atoms). The pathways of metabolism of FV In humans were : 1) hydroxylation at the 5- and 6-positions of the Indole ring, 2) loss of the 1-isopropyl group, 3) i-oxldatIon, 4) lactone formation, 5) formation of the threo-isomer, and 6) conjugatIon with eithr glucuronic acid or sulfate. Fluvastatin is almost completely metabolized in the liver by hydroxylation, N-dealkylation, and beta-oxidation (Dain et al., 1993) before fecal excretion (> 90%) (Tse et al., 1992). One oxygen added to product side for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: exact ABC transporter not known, but active transport is involved. Biliary transport system involves ATP dependant transporters. Fluvastatin and its major metabolites are eliminated primarily via the bile and recovered in the faeces, with 92 _x001A_ 10% of a 10mg oral radiolabelled fluvastatin dose being excreted in the faeces and 4.9 _x001A_ 1.6% in the urine. The predominant metabolites detected in the faeces after single and multiple oral doses were 5-hydroxy-fluvastatin, 6-hydroxy-fluvastatin and des-isopropyl-fluvastatin. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: During an 11-day period, 78 to 95% of the oral dose was excreted predominantly in the feces (urinary excretion accounted for less than 3% of total radioactivity). In both urine and feces, only trace amounts of unchanged drug were detected (0.3 and 0.5%, respectively) indicating extensive metabolism. These data indicate that bile is the principal route of elimination. Renal clearance accounts for less than 1% of the total body clearance, suggesting that renal impairment is unlikely to affect the disposition of tacrolimus. The metabolites found in blood were demethyl-tacrolimus and demethyl-hydroxy-tacrolimus, while in urine tacrolimus and eight of its metabolites were detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: During an 11-day period, 78 to 95% of the oral dose was excreted predominantly in the feces (urinary excretion accounted for less than 3% of total radioactivity). In both urine and feces, only trace amounts of unchanged drug were detected (0.3 and 0.5%, respectively) indicating extensive metabolism. These data indicate that bile is the principal route of elimination. Renal clearance accounts for less than 1% of the total body clearance, suggesting that renal impairment is unlikely to affect the disposition of tacrolimus. The metabolites found in blood were demethyl-tacrolimus and demethyl-hydroxy-tacrolimus, while in urine tacrolimus and eight of its metabolites were detected. $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: acetaminophen-glutathione-conjugate formed in the liver, gets into the bile and is re-absorbed by the enterocytes (enterohepatic circulation). SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: atorvastatin is given orally as calcium salt of the active hydroxy acied form and not as lactone pro-durg form. SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: cerivastatin is currently one of themost potent HMG-CoAreductase inhibitors, both in vitro and in vivo. As its sodium salt is the active ingredient in the oral tablet formulations, cerivastatin is present in the active, open-ring form. SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: Fluvastatin sodium is the first entirely synthetic competitive inhibitor ofHMG-CoA reductase SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: Oral pitavastatin (Livazo_x001A_, Livalo_x001A_)'', an inhibitor of HMG-CoA reductase (statin), is an effective lipid-lowering agent and is currently indicated for the treatment of primary hypercholesterolaemia or mixed dyslipidaemia in the EU and US. Pitavastatin is administered as the calcium salt of the active bydroxy acid. SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: pravastatin is orally administered in the active open hydroxy acid form SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: NOTES: More specifically,rosuvastatin is produced as monocalcium bis(+)- 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl Nmethansulfonylaminopyrimidine)-5-yl)-(3R,5S)-dihydroxy-(E)-6-heptenoate (calcium salt of the active hydroxy acid) SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: ABCC2 does not transport fluvastatin in hepatocytes (PMID: 16046661). Caco2 cells carry out the efflux of fluvastatin at the apical surface by ABCC2 (PMID: 16026004). Precise hepatocyte biliary efflux transporter not ellucidated, but involves active mechanisms as shwon in rats. 2% of oral dose recovered unchanged in faeces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Dissolution of fluvastatin along the gastrointestinal tract is rapid because of its high water solubility and intestinal permeability. Fluvastatin efflux transporter are not identified. This reaction has been added based on physiological evidence. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10962 NOTES: OATP2B1 located at the apical surface of enterocytes of teh small intestine, aids in uptake of fluvastatin $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:12530 or HGNC:12538 or HGNC:12541 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is also anionic and is more than 97% ionized at pH 7.4. However, low aqueous solubility and partition coefficient (log P) of 1.35 for Gliclazide indicates that the drug also possess sufficient lipophilicity. In case of beta cells in pancreas, gliclazide (1) binds the sulphonylurea receptor through a lipid matrix and (2) inhibits the K+ ATP channel which (3) depolarises the cell and (4) stimulates intracellular Cell transport which is (5) translocated within the cell before (6) stimulating insulin microtubules (7). Gliclazide may also have a direct effect on Ca2+ transport distal to locus of action of channel blockers. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: no evidence foudn for this transport reaction. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: glucuronides usually exit via ABC transporters located at the basolateral surface of enterocytes. MRP3 has been shown to transport glucuronides for paracetamol. However, for ibuprofen the enzyme is not known. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: The principal route of cytochrome P-450 metabolism in rodents, dog, and human was hydroxylation at the 6_x001A_-position. The resulting bioactive 6_x001A_-hydroxy metabolite, an allylic tertiary carbinol, has been shown to be extremely unstable, undergoing a rapid acid-catalyzed rearrangement to its more stable but inactive 3_x001A_-hydroxy-iso-i4_x001A_5_x001A_-isomer. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:40 NOTES: for biliary excretion $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: diffusion reaction assumed due to lack of specific transport protein $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 or HGNC:2637 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Losartan, an antagonist of the angiotensin II receptor (AT1-RA), and its metabolite (EXP-3174) cis inhibited urate uptake and the IC50 of losartan tended to be the same as that of probenecid consistent with the uricosuric property of losartan. URAT1 (GeneID:116085) is expresed in the renal cells and losartan and its active metabolite losartan-1374 was found to be its substrate, mediating antiport with organic anions (preferable chloride, can be substituted with bromide and iodide). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12531 NOTES: UGT1A10 formed N1-glucuronide in a significant proportion in human liver. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Other metabolites were detected in human liver microsomes, so possibly excretion pattern follows EXP-3174 (assumed). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: losartan is a P-gp substrate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 or HGNC:2637 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Other metabolites were detected in human liver microsomes, so possibly excretion pattern follows EXP-3174 (assumed). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 or HGNC:2637 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Other metabolites were detected in human liver microsomes, so possibly excretion pattern follows EXP-3174 (assumed). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Other metabolites were detected in human liver microsomes, so possibly excretion pattern follows EXP-3174 (assumed). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 or HGNC:2637 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Other metabolites were detected in human liver microsomes, so possibly excretion pattern follows EXP-3174 (assumed). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: diffusion reaction assumed due to lack of specific transport protein $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12531 or HGNC:12535 or HGNC:12536 or HGNC:12539 or HGNC:12540 or HGNC:12541 or HGNC:12547 or HGNC:12554 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Losartan, an antagonist of the angiotensin II receptor (AT1-RA), and its metabolite (EXP-3174) cis inhibited urate uptake and the IC50 of losartan tended to be the same as that of probenecid consistent with the uricosuric property of losartan. URAT1 (GeneID:116085) is expresed in the renal cells and losartan and its active metabolite losartan-1374 was found to be its substrate, mediating antiport with organic anions (preferable chloride, can be substituted with bromide and iodide). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Losartan, an antagonist of the angiotensin II receptor (AT1-RA), and its metabolite (EXP-3174) cis inhibited urate uptake and the IC50 of losartan tended to be the same as that of probenecid consistent with the uricosuric property of losartan. URAT1 (GeneID:116085) is expresed in the renal cells and losartan and its active metabolite losartan-1374 was found to be its substrate, mediating antiport with organic anions (preferable chloride, can be substituted with bromide and iodide). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: diffusion reaction has been assumed since no conclusive evidence of a specific transport protein exists. Pgp has been shown to act as an efflux transporter in CaCo2 cells for losartan alone but not for its active metabolite losartan-1374. No PEPT1-specific uptake of valsartan and losartan was found in HeLa cells. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9206 NOTES: lovastatin is a pro-drug and is converted from its lactone form to its active open acid form by esterases. Bulky drug substrates such as lovastatin, spironolactone, and canrenone were hydrolyzed only by PON3. This active form of lovastatin, i.e., hydroxy acid is the potent inhibitor of HMG-CoA reductase (E.C. 1.1.1.34), there by, inhibiting cholesterol biosynthesis (PMID: 1929403). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: lovastatin is a P-gp substrate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 NOTES: CYP2C8 contributes to the metabolism of lovastatin acid, too $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 NOTES: CYP2C8 also contributes to the metabolism of lovastatin acid. One water molecule added to product side for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2637 or HGNC:2638 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: lovastatin is a P-gp substrate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: all statins currently in market are well absorbed from the intestine. Simvastatin and lovastatin are lipophylic, cross cell membrane by passive diffusion. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: No transport protein has been identified. Diffusion reaction added based on physiologic evidence. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In rat study, in order to see the correlation between lipophilicity and absorption across the mucosa, substrates were found to be accumulated in the tissues, particularly midazolam and dextromethorphan which were the most lipophilic and were found to be 3 to 4 fold higher than the other compounds. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: In caco 2 studeis, results suggest midazolam to be a high permeability P-gp substrate. P-gp inhibition resulted in a slight increase in 1-OH MDZ formation. However, in liver, midazolam undergoes excretion into hepatic vein. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the basolateral surface aids in efflux of acetaminophen derivatives into the portal blood for uptake into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:54 NOTES: ABCC3 at the sinusoidal surface of hepatocytes, aid in uptake of acetaminophen derivatives from the portal blood into the hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%). Gliclazide undergoes extensive hepatic metabolic biotransformation to give seven inactive metabolites. These metabolites are excreted in urine and feces. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2620 or HGNC:2621 or HGNC:2623 NOTES: Gliclazide is extensively metabolized in the liver (Davis et al., 2000) to at least eight identified metabolites (Oida et al., 1985; Campbell et al., 1991; Taylor et al., 1996). Tolylmethyl hydroxylation (to form methyl-hydroxy-gliclazide) followed by oxidation to the corresponding carboxylic acid (to form carboxygliclazide) is the major metabolic pathway of gliclazide. Gliclazide is extensively metabolised to at least 8 identified metabolites by three major metabolic routes: (a) oxidation of the tolyl group to carboxylic acid; (b) hydroxylation of the azabicyclo-octyl moiety; and (c) glucuronidation. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2621 or HGNC:2623 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: ABCG2 is rosuvastatin efflux transporter $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: no transporter has been identified $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: no gene identified for this transport. However, the ribosides of allopurinol and oxypurinol, are excreted in urine and, like oxypurinol, they should accumulate in patients with renal failure. There are, however, no data on the CLR values of the ribosides. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: no gene identified for this transport. However, the ribosides of allopurinol and oxypurinol, are excreted in urine and, like oxypurinol, they should accumulate in patients with renal failure. There are, however, no data on the CLR values of the ribosides. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10971 NOTES: OAT2 transporter mediated uptake of drugs at the sinusoidal membrane. Operates in an antiport system, however, counter ion species remains unknown. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: release into the portal blood, same as allopurinol $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The pathways of metabolism of FV In humans were : 1) hydroxylation at the 5- and 6-positions of the Indole ring, 2) loss of the 1-isopropyl group, 3) i-oxldatIon, 4) lactone formation, 5) formation of the threo-isomer, and 6) conjugatIon with eithr glucuronic acid or sulfate. Fluvastatin is almost completely metabolized in the liver by hydroxylation, N-dealkylation, and beta-oxidation (Dain et al., 1993) before fecal excretion (> 90%) (Tse et al., 1992). C2H3 in reactant not accounted for. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: not detetcted in urine but found in plasma. Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: Pitavastatin is a BCRP substrate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12535 or HGNC:12536 or HGNC:12538 or HGNC:12554 NOTES: The formation of acyl glucuronides is a major metabolic pathway for many compounds containing a carboxylic acid (Faed 1984). These acyl glucuronides can undergo hydrolysis and are capable of reacting with protein nucleophiles to form covalent adducts (Ding et al. 1995). On the other hand, the characteristic migration of the acyl group, which occurs in ester-type glucuronides, was not observed in the metabolism of pitavastatin (Kojima et al. 1999a). These findings implied that the elimination of pitavastatin acyl glucuronides to its lactone form was rapid, indicating the covalent adducts might be negligible in pitavastatin metabolism. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: The formation of acyl glucuronides is a major metabolic pathway for many compounds containing a carboxylic acid (Faed 1984). These acyl glucuronides can undergo hydrolysis and are capable of reacting with protein nucleophiles to form covalent adducts (Ding et al. 1995). On the other hand, the characteristic migration of the acyl group, which occurs in ester-type glucuronides, was not observed in the metabolism of pitavastatin (Kojima et al. 1999a). These findings implied that the elimination of pitavastatin acyl glucuronides to its lactone form was rapid, indicating the covalent adducts might be negligible in pitavastatin metabolism. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Following a single oral dose of pitavastatin, a mean of 15% (parent compound and metabolites) of the dose was excreted in the urine, and a mean of 79% of the dose was excreted in the faeces. The lactone form of pitavastatin, which can be reversibly converted to the parent drug, is found as a major metabolite in plasma following oral administration in animals and human (Fujino et al. 1999b, Kojima et al. 1999b). This suggests that pitavastatin and pitavastatin lactone coexist at equilibrium in blood after administration of the drug. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2622 or HGNC:2623 NOTES: CYP3A4 catalysed the metabolism of pitavastatin lactone and the formation of M-3 was predominant. CYP2D6 was also capable of catalysing the formation of M-13. One oxygen addition and replacement of water with h2o2 was done for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 NOTES: CYP3A4 catalysed the metabolism of pitavastatin lactone and the formation of M-3 was predominant. CYP2D6 was also capable of catalysing the formation of M-13. One more water molecule added to product side for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9206 NOTES: The formation of acyl glucuronides is a major metabolic pathway for many compounds containing a carboxylic acid (Faed 1984). These acyl glucuronides can undergo hydrolysis and are capable of reacting with protein nucleophiles to form covalent adducts (Ding et al. 1995). On the other hand, the characteristic migration of the acyl group, which occurs in ester-type glucuronides, was not observed in the metabolism of pitavastatin (Kojima et al. 1999a). These findings implied that the elimination of pitavastatin acyl glucuronides to its lactone form was rapid, indicating the covalent adducts might be negligible in pitavastatin metabolism. One additional water molecule added to reactant side for element balance. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Among clinically available statins, pravastatin and rosuvastatin, have been categorized as hydrophilic statins; other statins are lipophilic. Pitavastatin is lipophilic, hence, diffusion reaction is added. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10956 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:53 or HGNC:74 NOTES: MRP2 is expressed in the apical (canalicular) membrane of hepatocytes, in the apical membrane of the proximal tubule of the kidney, and in the apical membrane of enterocytes in the duodenum and jejunum. MRP2 may thus reduce the gastrointestinal absorption and facilitate the biliary and renal excretion of its substrate drugs. MRP2. BCRP is also expressed in the small intestine, where it may reduce pravastatin absorption. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: a fraction of the intact drug passes through the small intestine at the proximal region, probably via a proton soupled carrier mediated transport, identity of the transport protein remains unknown. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10962 NOTES: The present study clarified by immunohistochemical analysis that in human small intestine, OATP-B is localized at the apical membrane of enterocytes. These observations strongly suggested that OATP-B is involved in the intestinal apical membrane transport of pravastatin. The Km value of pravastatin uptake by the membrane vesicles at pH 5.5 (15.2 mM) (Tamai et al., 1995a) was similar to IC50 value of pravastatin for the uptake of estrone-3-sulfate by OATP-B. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: transporter not identified, based on physiological evidence $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: Rosuvastatin is a BCRP substrate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Metabolites of rosuvastatin were, however, present in the circulation in this trial, and 2 metabolites of rosuvastatin were identified in excreta: rosuvastatin-5S-lactone and N-desmethyl rosuvastatin. The pharmacokinetic variables of rosuvastatin-5S-lactone_x001A_an inactive metabolite of rosuvastatin_x001A_have been assessed in previous trials of rosuvastatin. Glucuronidation is an important intermediate step in formation of lactone forms of the statins. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Metabolites of rosuvastatin were, however, present in the circulation in this trial, and 2 metabolites of rosuvastatin were identified in excreta: rosuvastatin-5S-lactone and N-desmethyl rosuvastatin. The pharmacokinetic variables of rosuvastatin-5S-lactone_x001A_an inactive metabolite of rosuvastatin_x001A_have been assessed in previous trials of rosuvastatin. Glucuronidation is an important intermediate step in formation of lactone forms of the statins. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:74 NOTES: ABCG2 is rosuvastatin efflux transporter $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:9206 NOTES: Metabolites of rosuvastatin were, however, present in the circulation in this trial, and 2 metabolites of rosuvastatin were identified in excreta: rosuvastatin-5S-lactone and N-desmethyl rosuvastatin. The pharmacokinetic variables of rosuvastatin-5S-lactone_x001A_an inactive metabolite of rosuvastatin_x001A_have been assessed in previous trials of rosuvastatin. Glucuronidation is an important intermediate step in formation of lactone forms of the statins. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: after oral administration, 90% recovered in feces unchanged and 10% in urine. Elimination of rosuvastatin appears to be primarily via the liver; nonrenal, assumed hepatic clearance represents >70% of total plasma clearance. Nonetheless, the HPLC metabolite profiles in excreta in this trial indicated that most of the rosuvastatin dose was excreted unchanged, suggesting that metabolism is a minor route of clearance. This agrees with the results of in vitro studies indicating that rosuvastatin is not metabolized by human hepatic microsomes and is only slowly metabolized by human hepatocytes. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10956 or HGNC:10962 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:40 NOTES: Canalicular excretion of biliary constituents is the rate-limiting step of bile formation since biliary constituents are excreted against high concentration gradients into bile. ABC transporters on the canalicular membrane (facing bile) export drugs into the bile. Overlapping substrate specificities between the uptake transporters (OATP family) and efflux transporters (MRP family) make the vectorial transport of organic anions highly efficient. Similar transport systems also are present in the intestine, renal tubules, and endothelial cells of the brain capillaries. Further, ABCB1 has been shown to interact with simvastatin, simvastatin acid, and atorvastatin (PMID: 15497697). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:4696 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: dogs are most comparable to humans for xenobiotic metabolism. In dogs, 7% of simvastatin and 20% of simvastatin acid reached systemic circulation unchanged. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: Bogman et al. (2001) confirmed that simvastatin, lovastatin, and atorvastatin were P-glycoprotein inhibitors, whereas pravastatin was not. The lactone form of all three statins (i.e., atorvastatin, lovastatin, and simvastatin) exhibited more potent P-glycoprotein inhibition compared with their corresponding acid forms. The IC50 values were similar among the three lactones and up to 10-fold lower compared with their acid form. Pravastatin (acid form only), although much more hydrophilic compared with other three statins in the acid form, showed similar weak inhibition. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:12530 or HGNC:12535 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:9206 NOTES: the pro-durg undrgoes hydrolysis to release the hydroxy acid form, which is the most potent inhibitor of HMG-CoA reductase enzyme. Dogs are most comparable to humans for metabolism of xenobiotics, where, the acid form is then released into plasma after extensive metabolism. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: all statins currently in market are well absorbed from the intestine. Simvastatin and lovastatin are lipophylic, cross cell membrane by passive diffusion. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: HGNC:10959 NOTES: precise transport mechanism of human OATPs have not been elucidated, although, in rats bicarbonate exchange has been shown in vitro experiments (PMID: 9334206), however, suggested to be organic anion antiporter, with bicarbonate and statins (Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, and Removal, Enzyme- and Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues and R. M. Peter, Springer New York: 27-49.). OATP1B1 has been found to be epressed in many tissues at the m-RNA level, but only liver has protein level expression. Simvastatin is a substrate for OATP1B1, mediating hepatic uptake across the sinusoidal/basolateral surface. OATP1B1 encoded by SLCO1B1 is critical for hepatic uptake of simvastatin acid, the active metabolite of simvastatin (PMID: 21436344). $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:54 or HGNC:55 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: Tacrolimus is a drug with high permeability to the intestinal membrane and the low oral dose, its absorption is considered to complete quickly in the upper intestine after oral administration. The authors have shown that tacrolimus is an intrinsically high-permeability drug, but shows significant site dependence in intestinal permeability. The permeability was found to be highest at jejunum followed by ileum and colon. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:40 NOTES: When tacrolimus was added to the luminal side of the intestinal preparation, more than 90% of the metabolites were transported from the tissue back into the luminal chamber, most likely by active transport. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In 3 patients with rheumatoid arthritis receiving ibuprofen 600mg daily for 5 weeks, 44% of the dose was excreted in urine within 24 hours; 8% was excreted as hydroxy buprofen and 28% as carboxy ibuprofen. In 3 males given an oral dose of ibuprofen 200mg, 25% of the dose was excreted as hydroxy ibuprofen (free and conjugated), 34% as carboxy ibuprofen (free and conjugated) and no unchanged ibuprofen could be detected. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: enzyme not known. Detected in plasma, in very minor proportions, at later time periods. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: minor oxidative metabolite of acetaminophen $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: Minor amounts of the conjugates of 5- and 6-hydroxy-fluvastatin as well as the 4,5_x001A_pentanoic acid derivative, the threo-isomer and the trans-lactone of fluvastatin were detected in plasma. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In healthy volunteers and patients with normal renal function, approximately 20% of a dose of torasemide is eliminated unchanged in the urine. The high renal clearance of torasemide indicates that the major part of torasemide is secreted by the proximal tubular anion carrier system. Hence, organic anion antiport mechanism has been assumed for hepatocytes. OAT4 located in the kidney, exchanges organic anions (efflux) for chloride (uptake). In another study, authors found that large variation in the renal clearance of torsemide, which was partially explained by genetic variation in the luminally expressed OAT4 rather than by polymorphisms in the genes coding for basolaterally located OAT1 and OAT3. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 NOTES: We demonstrate that CYP2C9 is solely responsible for torsemide tolyl methyihydroxylation in human liver microsomes. Torasemide undergoes extensive hepatic metabolism. Hydroxylation of the methyl group of the phenyl ring results in metabolite M1 which is further metabolised by oxidation to the carboxylic acid, metabolite M5. Renal excretion is the primary elimination pathway for the metabolite. In individuals with normal renal function, approximately 10% of the dose is excreted as M1 and about 44% as M5, respectively. A parallel pathway to the formation of M1 is hydroxylation of the phenyl ring, forming metabolite M3, which is then also excreted renally. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In healthy volunteers and patients with normal renal function, approximately 20% of a dose of torasemide is eliminated unchanged in the urine. The high renal clearance of torasemide indicates that the major part of torasemide is secreted by the proximal tubular anion carrier system. Hence, organic anion antiport mechanism has been assumed for hepatocytes. OAT4 located in the kidney, exchanges organic anions (efflux) for chloride (uptake). In another study, authors found that large variation in the renal clearance of torsemide, which was partially explained by genetic variation in the luminally expressed OAT4 rather than by polymorphisms in the genes coding for basolaterally located OAT1 and OAT3. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: NOTES: We demonstrate that CYP2C9 is solely responsible for torsemide tolyl methyihydroxylation in human liver microsomes. Torasemide undergoes extensive hepatic metabolism. Hydroxylation of the methyl group of the phenyl ring results in metabolite M1 which is further metabolised by oxidation to the carboxylic acid, metabolite M5. Renal excretion is the primary elimination pathway for the metabolite. In individuals with normal renal function, approximately 10% of the dose is excreted as M1 and about 44% as M5, respectively. A parallel pathway to the formation of M1 is hydroxylation of the phenyl ring, forming metabolite M3, which is then also excreted renally. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In healthy volunteers and patients with normal renal function, approximately 20% of a dose of torasemide is eliminated unchanged in the urine. The high renal clearance of torasemide indicates that the major part of torasemide is secreted by the proximal tubular anion carrier system. Hence, organic anion antiport mechanism has been assumed for hepatocytes. OAT4 located in the kidney, exchanges organic anions (efflux) for chloride (uptake). In another study, authors found that large variation in the renal clearance of torsemide, which was partially explained by genetic variation in the luminally expressed OAT4 rather than by polymorphisms in the genes coding for basolaterally located OAT1 and OAT3. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2623 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: antiport transport for uptake of torasemide has been assumed, since, OATP1B1 mediates hepatic uptake of torasemide in an antipor manner, in exchange of bicarbonate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: In healthy volunteers and patients with normal renal function, approximately 20% of a dose of torasemide is eliminated unchanged in the urine. The high renal clearance of torasemide indicates that the major part of torasemide is secreted by the proximal tubular anion carrier system. Hence, organic anion antiport mechanism has been assumed for hepatocytes. OAT4 located in the kidney, exchanges organic anions (efflux) for chloride (uptake). In another study, authors found that large variation in the renal clearance of torsemide, which was partially explained by genetic variation in the luminally expressed OAT4 rather than by polymorphisms in the genes coding for basolaterally located OAT1 and OAT3. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:10970 NOTES: OAT1 plays a major role in the renal secretion of preferentially hydrophilic organic anions such as endogenous metabolites, xenobiotics, and drugs. Located on the basolateral side of the proximal tubule cells, it mediates the uptake of these compounds into the cells against a negative membrane potential and in exchange for the Krebs cycle intermediate a-ketoglutarate. Consequently, it is held responsible for the nephrotoxicity of some substances like the endogenous uremic toxins, antiviral drugs, and cephaloridines , as well as the mycotoxin ochratoxin A. Besides kidneys, OAT1 was also detected in other organs such as liver, skeletal muscle, brain, and eye, where it may be involved in the secretion of neurotransmitter metabolites. Further, it was shown that torsemide interacts with the human OATs 1, 3 and 4 located at the renal tubules. OAT1 is also expressed in liver, and possibly aid in efflux of torasemide. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 2 GENE_ASSOCIATION: NOTES: No specific intestinal transporter for Torasemide has been identified. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:2637 NOTES: CYP3A4 is involved in formation of hydroxy metabolites. Pravastatin yielded 12 different metabolites in urine, when administered orally. H2o2 added to product side for element balancing. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 4 GENE_ASSOCIATION: HGNC:42 or HGNC:53 or HGNC:74 $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: 12 different pravastatin metabolites has been detected in urine in case of humans, after oral administration of pravastatin. However, for this statin, both urine and biliary excretion exists. Additionally, pravastatin undergoes extensive enterohepatic circulation, when exit is through biliary route. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ CONFIDENCE_LEVEL: 3 GENE_ASSOCIATION: NOTES: The urinary metabolites after a therapeutic dose of paracetamol were identified as free paracetamol, paracetamol sulphate, 3-hydroxy-paracetamol-3-sulphate, 3-methoxy-paracetamol sulphate, paracetamol glucuronide, 3-methoxy-paracetamol glucuronide, paracetamol 3-cysteine conjugate and paracetamol 3-mercapturate. $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: SUBSYSTEM: Exchange/demand reaction $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:1421 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:2330 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:1421 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:2330 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:1421 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:2330 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:8587 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and (HGNC:3247 or HGNC:5213)) or ((HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and (HGNC:3247 or HGNC:5213)) or ((HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: HGNC:4801 and HGNC:4803 $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:21497 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:21497 and HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:21497 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:21497 and HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and (HGNC:3247 or HGNC:5213)) or ((HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and (HGNC:3247 or HGNC:5213)) or ((HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:21497 and HGNC:4801 and HGNC:4803) or (HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:21497 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:14601 and HGNC:2753 and HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:14601 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) or (HGNC:21497 and HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:2753 and HGNC:30211 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:2703 and HGNC:2753 and HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:119 and (HGNC:3247 or HGNC:5213)) or (HGNC:119 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:90) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:90) or (HGNC:4801 and HGNC:4803 and HGNC:91) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:90) or (HGNC:4801 and HGNC:4803 and HGNC:91) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:14601 and HGNC:4801 and HGNC:4803) or (HGNC:2703 and HGNC:4801 and HGNC:4803) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:90) or (HGNC:4801 and HGNC:4803 and HGNC:91) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:4801 and HGNC:4803 and HGNC:88) or (HGNC:4801 and HGNC:4803 and HGNC:89) or (HGNC:4801 and HGNC:4803 and HGNC:92) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:121 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:121 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:121 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:121 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$ GENE_ASSOCIATION: (HGNC:10606 and HGNC:121 and HGNC:2754 and (HGNC:3247 or HGNC:5213)) or (HGNC:121 and HGNC:2754 and (HGNC:3247 or HGNC:5213) and HGNC:82) $\mathrm{FLUX\_VALUE}$