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CHEBI:22894 - Mo(=O)-bis(molybdopterin guanine dinucleotide)

ChEBI IDCHEBI:22894
ChEBI NameMo(=O)-bis(molybdopterin guanine dinucleotide)
Stars
DefinitionAn Mo-molybdopterin cofactor comprising two molecules of molybdopterin guanine dinucleotide attached via their sulfur atoms to a central Mo(=O) moiety.
Secondary ChEBI IDCHEBI:61145
Last Modified5 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC40H48MoN20O27P4S4
Net Charge0
Average Mass1589.041
Monoisotopic Mass1589.98851
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-4/t2*4-,5-,6+,9-,10-,17-,18-;;/m11../s1
InChIKeySPLYCLQDZVSNSU-HWCCSRDCSA-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(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:22894) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:22894) is a molybdopterin dinucleotide (CHEBI:37146)
Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:22894) is conjugate acid of Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539)
Incoming Relation(s)
Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539) is conjugate base of Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:22894)
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(2−)}(oxido)molybdenum
Synonyms  Source
Mo(Dtpp-mGDP)2ChEBI
molybdate-bis(molybdopterin guanine dinucleotide)ChEBI
bis(molybdopterin guanine dinucleotide)molybdenumChEBI