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Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3-)

MNXM2732 is deprecated and here replaced by MNXM1105104
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105104 Image of MNXM1105104
referencechebi:60102
formulaC10H11MoN5O8PS3
global charge-3
mol weight552.34
InChIKeyKXSHYYUBHQXNRZ-BKZHXLINSA-I
InChIInChI=1S/C10H14N5O6PS2.Mo.H2O.O.S/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-5/t2-,3+,9-;;;;/m1..../s1
SMILESNC1=NC2=C(N[C@H]3C4=C(S[Mo-](=O)(O)(=S)S4)[C@@H](COP(=O)([O-])[O-])O[C@H]3N2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C10H14N5O6PS2.Mo.H2O.O.S/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;;;/t2-,3+,9-;;;;/m1..../s1 Image of MNXM1105104
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]([OH:16])=[N:15][C:10](=[NH:11])[NH:14]3)[NH:12]2)[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19].[Mo+2:25].[O:27].[OH2:26].[S: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
IdentifierDescription

reactome:R-ALL-947575
reactomeM:R-ALL-947575
CHEBI:60102
chebi:60102
KXSHYYUBHQXNRZ-BKZHXLINSA-I 		Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3-)
sulfurated eukaryotic molybdenum cofactor(3-)
{[(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(4-) phosphate}(hydroxy)(oxido)(sulfido)molybdate(3-)