CHEBI:71308 - Mo(VI)-molybdopterin cytosine dinucleotide(2−)

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ChEBI Name Mo(VI)-molybdopterin cytosine dinucleotide(2−)
ChEBI ID CHEBI:71308
ChEBI ASCII Name Mo(VI)-molybdopterin cytosine dinucleotide(2-)
Definition An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of Mo(VI)-molybdopterin cytosine dinucleotide.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C19H22MoN8O15P2S2
Net Charge -2
Average Mass 824.44000
Monoisotopic Mass 825.91863
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-4/t5-,6-,8+,10-,11-,16-,17-;;;/m1.../s1
InChIKey KGCKMLSJAXDKBP-RRNIHQQDSA-J
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(2−) (CHEBI:71308) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(VI)-molybdopterin cytosine dinucleotide(2−) (CHEBI:71308) is a organophosphate oxoanion (CHEBI:58945)
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(4−)}(dioxo)molybdate(2−)
Synonyms Sources
Mo-molybdopterin cytosine dinucleotide UniProt
MoO2-molybdopterin cytosine dinucleotide(2−) ChEBI
Manual Xref Database
CPD0-1882 MetaCyc
View more database links
Last Modified
26 July 2019