CHEBI:71353 - Mo(VI)-molybdopterin cytosine dinucleotide

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ChEBI Name Mo(VI)-molybdopterin cytosine dinucleotide
ChEBI ID CHEBI:71353
ChEBI ASCII Name Mo(VI)-molybdopterin cytosine dinucleotide
Definition A molybdopterin dinucleotide in which the other nucleobase is cytosine and the coordinated molybdenum species is MoO2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H24MoN8O15P2S2
Net Charge 0
Average Mass 826.46000
Monoisotopic Mass 827.93318
InChI InChI=1S/C19H26N8O13P2S2.Mo.2O/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;+2;;/p-2/t5-,6-,8+,10-,11-,16-,17-;;;/m1.../s1
InChIKey KGCKMLSJAXDKBP-RRNIHQQDSA-L
SMILES [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C1=C(S[Mo](=O)(=O)S1)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via Mo-molybdopterin cofactor )
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via molybdopterin cofactor )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Mo(VI)-molybdopterin cytosine dinucleotide (CHEBI:71353) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(VI)-molybdopterin cytosine dinucleotide (CHEBI:71353) is a molybdopterin dinucleotide (CHEBI:37146)
IUPAC Name
{5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2−)}(dioxo)molybdenum
Synonyms Sources
cytidylyl molybdenum cofactor MetaCyc
MoO2(OH)Dtpp-mCDP MetaCyc
MoO2-molybdopterin cytosine dinucleotide ChEBI
Manual Xref Database
CPD0-1882 MetaCyc
View more database links
Last Modified
05 December 2012