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CHEBI:61128 - oxotungsten-bis(molybdopterin guanine dinucleotide)

ChEBI IDCHEBI:61128
ChEBI Nameoxotungsten-bis(molybdopterin guanine dinucleotide)
Stars
DefinitionA W-molybdopterin cofactor comprising two molecules of molybdopterin guanine dinucleotide attached via their sulfur atoms to a central oxo-tungsten group.
Last Modified5 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC40H48N20O27P4S4W
Net Charge0
Average Mass1676.941
Monoisotopic Mass1676.03404
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][W]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.O.W/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
InChIKeyABWAXDBZHRRZAE-HWCCSRDCSA-J
Roles Classification
Biological Role:
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)
oxotungsten-bis(molybdopterin guanine dinucleotide) (CHEBI:61128) is a molybdopterin dinucleotide (CHEBI:37146)
oxotungsten-bis(molybdopterin guanine dinucleotide) (CHEBI:61128) is a W-molybdopterin cofactor (CHEBI:60215)
oxotungsten-bis(molybdopterin guanine dinucleotide) (CHEBI:61128) is conjugate acid of oxotungsten-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60537)
Incoming Relation(s)
oxotungsten-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60537) is conjugate base of oxotungsten-bis(molybdopterin guanine dinucleotide) (CHEBI:61128)
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)tungsten