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Mo-molybdopterin

MNXM2838 is deprecated and here replaced by MNXM1104368
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104368 Image of MNXM1104368
referencechebi:71302
formulaC10H10MoN5O9PS2
global charge-4
mol weight535.264
InChIKeyRVADHZKSUZKIRJ-BKZHXLINSA-J
InChIInChI=1S/C10H14N5O6PS2.Mo.3O/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);;;;/q;+1;;;-1/p-4/t2-,3+,9-;;;;/m1..../s1
SMILESNC1=NC2=C(N[C@H]3C4=C(S[Mo-](=O)(=O)([O-])S4)[C@@H](COP(=O)([O-])[O-])O[C@H]3N2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C10H14N5O6PS2.Mo.3O/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);;;;/q;+1;;;-1/t2-,3+,9-;;;;/m1..../s1 Image of MNXM1104368
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+:25].[O-:28].[O:26].[O:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)24
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71302
chebi:71302
RVADHZKSUZKIRJ-BKZHXLINSA-J 		Mo-molybdopterin
Mo(VI)O2(OH)-molybdopterin cofactor(4-)
MoCo (dioxyo)
MoO2(OH)-molybdopterin cofactor(4-)
MoO2(OH)Dtpp-mP
molybdenum cofactor
molybdenum cofactor (dioxyo)
{[(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}(trioxido)molybdate(4-)

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-)

sabiork.compound:31420
sabiorkM:31420
HDAJUGGARUFROU-JSUDGWJLSA-L 		Mo-Molybdopterin
Mo-molybdopterin cofactor
MoO2-molybdopterin cofactor

metacyc.compound:CPD-8123
metacycM:CPD-8123
HDAJUGGARUFROU-JSUDGWJLSA-J 		MoO2-molybdopterin cofactor
MoCo (dioxyo)
MoO2(OH)Dtpp-mP
MoO2-Mo-MPT
molybdenum cofactor (dioxyo)
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdate

bigg.metabolite:moco
biggM:moco 		Molybdenum cofactor

seed.compound:cpd19503
seedM:cpd19503
HDAJUGGARUFROU-JSUDGWJLSA-J 		Molybdoenzyme molybdenum cofactor
MoCo (dioxyo)
MoO2(OH)Dtpp-mP
MoO2-Mo-MPT
MoO2-molybdopterin cofactor
Molybdenum cofactor
molybdenum cofactor
molybdenum cofactor (dioxyo)
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdate

kegg.compound:C18237
keggC:C18237
HDAJUGGARUFROU-JSUDGWJLSA-L 		Molybdoenzyme molybdenum cofactor
Molybdenum cofactor

biggM:M_moco
keggC:M_C18237
seedM:M_cpd19503 		secondary/obsolete/fantasy identifier