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CHEBI:60539 - Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−)

Default Structure
ChEBI IDCHEBI:60539
ChEBI NameMo(=O)-bis(molybdopterin guanine dinucleotide)(4−)
Stars
ASCII NameMo(=O)-bis(molybdopterin guanine dinucleotide)(4-)
DefinitionAn organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of molybdate-bis(molybdopterin guanine dinucleotide); major species at pH 7.3.
Secondary ChEBI IDCHEBI:71312
Last Modified5 June 2024
SubmitterKAX, Kristian Axelsen
DownloadsMolfile
FormulaC40H44MoN20O27P4S4
Net Charge-4
Average Mass1585.009
Monoisotopic Mass1585.95941
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]2(=[O])([S]1)[S]C1=C([S]2)[C@]2([H])Nc3c(nc(N)nc3=O)N[C@]2([H])O[C@@H]1COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(=O)nc(N)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/2C20H26N10O13P2S2.Mo.O/c2*21-19-26-13-7(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;;/h2*3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;/q;;+4;/p-8/t2*4-,5-,6+,9-,10-,17-,18-;;/m11../s1
InChIKeySPLYCLQDZVSNSU-HWCCSRDCSA-F
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(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539) is a organophosphate oxoanion (CHEBI:58945)
Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539) is conjugate base of Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:22894)
Incoming Relation(s)
Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:22894) is conjugate acid of Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539)
IUPAC Name 
bis{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−)}(oxido)molybdate(4−)
Synonyms  Source
molybdate-bis(molybdopterin guanine dinucleotide) tetraanionChEBI
Mo(=O)-bis(molybdopterin guanine dinucleotide) tetraanionChEBI
UniProt Name  Source
Mo-bis(molybdopterin guanine dinucleotide)UniProt
Manual XrefsDatabases
CPD-15873MetaCyc
Citations