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CHEBI:71310 - Mo(VI)-molybdopterin guanine dinucleotide(4−)

ChEBI IDCHEBI:71310
ChEBI NameMo(VI)-molybdopterin guanine dinucleotide(4−)
Stars
ASCII NameMo(VI)-molybdopterin guanine 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 guanine dinucleotide.
Last Modified6 June 2024
SubmitterKAX
DownloadsMolfile
FormulaC20H22MoN10O16P2S2
Net Charge-4
Average Mass880.472
Monoisotopic Mass881.92079
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](n3cnc4c(=O)nc(N)nc43)[C@H](O)[C@@H]1O)C1=C2[S][Mo-](=[O])(=[O])([O-])[S]1
InChIInChI=1S/C20H26N10O13P2S2.Mo.3O/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;;;;/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;;;/q;+1;;;-1/p-4/t4-,5-,6+,9-,10-,17-,18-;;;;/m1..../s1
InChIKeyCNPFNNZEOHNPEQ-HXAHJUJRSA-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 guanine dinucleotide(4−) (CHEBI:71310) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(VI)-molybdopterin guanine dinucleotide(4−) (CHEBI:71310) is a organophosphate oxoanion (CHEBI:58945)
Mo(VI)-molybdopterin guanine dinucleotide(4−) (CHEBI:71310) is conjugate base of Mo(VI)-molybdopterin guanine dinucleotide (CHEBI:71343)
Incoming Relation(s)
Mo(VI)-molybdopterin guanine dinucleotide (CHEBI:71343) is conjugate acid of Mo(VI)-molybdopterin guanine dinucleotide(4−) (CHEBI:71310)
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]guanosinato(4−)}(trioxido)molybdate(4−)
Synonym  Source
MoO2(OH)-molybdopterin guanine dinucleotide(4−)ChEBI
UniProt Name  Source
Mo-molybdopterin guanine dinucleotideUniProt
Manual XrefsDatabases
CPD-582MetaCyc