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Mo-molybdopterin cytosine dinucleotide

PropertiesImage
MNX_IDMNXM1103700 Image of MNXM1103700
referencechebi:71308
formulaC19H22MoN8O16P2S2
global charge-4
mol weight840.447
InChIKeyZOPFRBWJOPZGAV-MQPNXHJTSA-J
InChIInChI=1S/C19H26N8O13P2S2.Mo.3O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;;;/q;+1;;;-1/p-4/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1
SMILESNC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@H]4NC5=C(N[C@H]4C4=C3S[Mo-](=O)(=O)([O-])S4)C(=O)NC(N)=N5)[C@@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C19H26N8O13P2S2.Mo.3O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;;;/q;+1;;;-1/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1 Image of MNXM1103700
SMILES (mnx)[CH:1]1=[CH:2][N:27]([C@H:17]2[C@H:11]([OH:29])[C@H:10]([OH:28])[C@@H:5]([CH2:3][O:36][P:41]([OH:32])(=[O:33])[O:40][P:42]([OH:34])(=[O:35])[O:37][CH2:4][C@@H:6]3[C:12]([SH:43])=[C:13]([SH:44])[C@H:8]4[C@H:16]([NH:24][C:14]5=[C:9]([C:15]([OH:30])=[N:26][C:18](=[NH:21])[NH:25]5)[NH:23]4)[O:38]3)[O:39]2)[C:19]([OH:31])=[N:22][C:7]1=[NH:20].[Mo+:45].[O-:48].[O:46].[O:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71308
chebi:71308
ZOPFRBWJOPZGAV-MQPNXHJTSA-J 		Mo-molybdopterin cytosine dinucleotide
Mo(VI)-molybdopterin cytosine dinucleotide(4-)
MoO2-molybdopterin cytosine dinucleotide(4-)
{5'-O-[{[{[(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]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(4-)}(trioxido)molybdate(4-)

kegg.compound:C21485
keggC:C21485
KGCKMLSJAXDKBP-RRNIHQQDSA-L 		Cytidylyl molybdenum cofactor
Molybdopterin cytosine dinucleotide cofactor

seed.compound:cpd21288
seedM:cpd21288
KGCKMLSJAXDKBP-RRNIHQQDSA-J 		Mast cell degranulating peptide
MCD
MCD peptide
Mo-molybdopterin cytosine dinucleotide
MoO2(OH)Dtpp-mCDP
MoO2-molybdopterin cytosine dinucleotide
cytidylyl molybdenum cofactor
molybdopterin cytosine dinucleotide

CHEBI:71353
chebi:71353
YEBYDVFRFUQMER-MQPNXHJTSA-K 		Mo(VI)-molybdopterin cytosine dinucleotide
MoO2(OH)Dtpp-mCDP
MoO2OH-molybdopterin cytosine dinucleotide
cytidylyl molybdenum cofactor
{5'-O-[{[{[(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]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2-)}(hydroxy)bis(oxido)molybdate(1-)

sabiork.compound:31419
sabiorkM:31419
KGCKMLSJAXDKBP-RRNIHQQDSA-L 		Mo-molybdopterin cytosine dinucleotide
Cytidylyl molybdenum cofactor
MoO2-molybdopterin cytosine dinucleotide(2-)

bigg.metabolite:mococdp
biggM:mococdp 		Molybdopterin cytosine dinucleotide

metacyc.compound:CPD0-1882
metacycM:CPD0-1882
KGCKMLSJAXDKBP-RRNIHQQDSA-J 		cytidylyl molybdenum cofactor (dioxo)
MCD
Mo(VI)-molybdopterin cytosine dinucleotide
MoO2-molybdopterin cytosine dinucleotide
MoO2Dtpp-mCDP

biggM:M_mococdp
keggC:M_C21485
seedM:M_cpd21288 		secondary/obsolete/fantasy identifier