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

Mo(VI)O2(OH)-molybdopterin cofactor

Properties Image MNX_ID MNXM1583477 reference chebi:71306 formula C10H13MoN5O9PS2 global charge -1 mol weight 538.288 InChIKey ODSJFVQKGDHXNB-BKZHXLINSA-K InChI InChI=1S/C10H14N5O6PS2.Mo.H2O.2O/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);;1H2;;/q;+2;;;/p-3/t2-,3+,9-;;;;/m1..../s1 SMILES Nc1nc2c(c(=O)[nH]1)N[C@H]1C3=C(S[Mo-](=O)(=O)(O)S3)[C@@H](COP(=O)(O)O)O[C@H]1N2 MNX internals InChI (mnx) InChI=1/C10H14N5O6PS2.Mo.H2O.2O/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);;1H2;;/q;+7;;2*-2/t2-,3+,9-;;;;/m1..../s1 SMILES (mnx) [CH2:1]([C@@H:2]1[C:5]([SH:23])=[C:6]([SH:24])[C@H:3]2[C@H:9]([NH:13][c:7]3[c:4]([c:8](=[O:16])[nH:15][c:10]([NH2:11])[n:14]3)[NH:12]2)[O:21]1)[O:20][P:22](=[O:17])([OH:18])[OH:19].[H][O-:26].[Mo+7:25].[O-2:27].[O-2:28]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:71306 chebi:71306 ODSJFVQKGDHXNB-BKZHXLINSA-K	Mo(VI)O2(OH)-molybdopterin cofactor MoO2(OH)-molybdopterin cofactor MoO2(OH)Dtpp-mP molybdenum cofactor {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)bis(oxido)molybdate(1-)