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CHEBI:71308 - Mo(VI)-molybdopterin cytosine dinucleotide(4−)

ChEBI IDCHEBI:71308
ChEBI NameMo(VI)-molybdopterin cytosine dinucleotide(4−)
Stars
ASCII NameMo(VI)-molybdopterin cytosine dinucleotide(4-)
DefinitionAn organophosphate oxoanion arising from deprotonation of the diphosphate OH groups and deprotonation of the OH group directly attached to Mo in Mo(VI)-molybdopterin cytosine dinucleotide.
Last Modified6 June 2024
SubmitterKAX
DownloadsMolfile
FormulaC19H22MoN8O16P2S2
Net Charge-4
Average Mass840.447
Monoisotopic Mass841.91464
SMILES[H][C@@]12Nc3c(nc(N)nc3=O)N[C@]1([H])O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]1O)C1=C2[S][Mo-](=[O])(=[O])([O-])[S]1
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
InChIKeyZOPFRBWJOPZGAV-MQPNXHJTSA-J
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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).
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).
ChEBI Ontology
Outgoing Relation(s)
Mo(VI)-molybdopterin cytosine dinucleotide(4−) (CHEBI:71308) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(VI)-molybdopterin cytosine dinucleotide(4−) (CHEBI:71308) is a organophosphate oxoanion (CHEBI:58945)
Mo(VI)-molybdopterin cytosine dinucleotide(4−) (CHEBI:71308) is conjugate base of Mo(VI)-molybdopterin cytosine dinucleotide (CHEBI:71353)
Incoming Relation(s)
Mo(VI)-molybdopterin cytosine dinucleotide (CHEBI:71353) is conjugate acid of Mo(VI)-molybdopterin cytosine dinucleotide(4−) (CHEBI:71308)
IUPAC Name 
{5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(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−)}(trioxido)molybdate(4−)
Synonym  Source
MoO2-molybdopterin cytosine dinucleotide(4−)ChEBI
UniProt Name  Source
Mo-molybdopterin cytosine dinucleotideUniProt
Manual XrefsDatabases
CPD0-1882MetaCyc