**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

molybdopterin

Properties Image MNX_ID MNXM1365590 reference chebi:58698 formula C10H11N5O6PS2 global charge -3 mol weight 392.335 InChIKey HPEUEJRPDGMIMY-IFQPEPLCSA-K InChI InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/p-3/t2-,3+,9-/m1/s1 SMILES Nc1nc2c(c(=O)[nH]1)N[C@H]1C(S)=C([S-])[C@@H](COP(=O)([O-])[O-])O[C@H]1N2 MNX internals InChI (mnx) InChI=1/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1 SMILES (mnx) [C:1]12=[C:4]([CH2:3][C@H:6]3[C@@H:5]([CH2:2]1)[N:11]([CH3:8])=[N:12]([CH3:7])[N:13]([O:19][O:20][SH:23](=[O:21])([PH2:22])[SH:24])[NH:14]3)[O:16]=[O:17]([CH3:10])[O:18][N:15]2=[CH2:9]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 18 in models (compartimentalized) 6

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-947496 reactomeM:R-ALL-947496 CHEBI:58698 chebi:58698 HPEUEJRPDGMIMY-IFQPEPLCSA-K	molybdopterin [(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate molybdopterin(3-)
bigg.metabolite:mpt biggM:mpt sabiork.compound:8271 sabiorkM:8271 vmhM:M02488 vmhM:M02488 vmhmetabolite:M02488 vmhmetabolite:M02488 HPEUEJRPDGMIMY-IFQPEPLCSA-N	Molybdopterin
kegg.compound:C05924 keggC:C05924 HPEUEJRPDGMIMY-IFQPEPLCSA-N	Molybdopterin H2Dtpp-mP Pyranopterin
vmhM:M02490 vmhM:M02490 vmhmetabolite:M02490 vmhmetabolite:M02490 HPEUEJRPDGMIMY-IFQPEPLCSA-N	Monofucosyllactoisooctaosylceramide
vmhM:M02491 vmhM:M02491 vmhmetabolite:M02491 vmhmetabolite:M02491 HPEUEJRPDGMIMY-IFQPEPLCSA-N	Monosialylgalactosylgloboside
metacyc.compound:CPD-4 metacycM:CPD-4 HPEUEJRPDGMIMY-IFQPEPLCSA-K	molybdopterin H2Dtpp-mP MPT [(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl)-4,5,5a,8,9a,10-hexahydro-1H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate ene-dithiol pyranopterin pyranopterin-dithiolate
reactome:R-ALL-38025 reactomeM:R-ALL-38025 CHEBI:44074 chebi:44074 HPEUEJRPDGMIMY-IFQPEPLCSA-N	molybdopterin H2Dtpp-mP Molybdopterin Pyranopterin [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate dtpp
chebi:44067 chebi:6969 biggM:M_mpt keggC:M_C05924 vmhM:M_M02488 vmhM:M_M02490 vmhM:M_M02491	secondary/obsolete/fantasy identifier