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CHEBI:60102 - Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−)

Default Structure
ChEBI IDCHEBI:60102
ChEBI NameMo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−)
Stars
ASCII NameMo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor; major species at pH 7.3.
Last Modified6 June 2024
SubmitterR. Stephan
DownloadsMolfile
FormulaC10H11MoN5O8PS3
Net Charge-3
Average Mass552.340
Monoisotopic Mass553.85779
SMILES[H][C@@]12Nc3c(nc(N)nc3=O)N[C@]1([H])O[C@H](COP(=O)([O-])[O-])C1=C2[S][Mo-](=[O])([OH])(=[S])[S]1
InChIInChI=1S/C10H14N5O6PS2.Mo.H2O.O.S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;1H2;;/q;+2;;;/p-5/t2-,3+,9-;;;;/m1..../s1
InChIKeyKXSHYYUBHQXNRZ-BKZHXLINSA-I
ChEBI Ontology
Outgoing Relation(s)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102) is a organophosphate oxoanion (CHEBI:58945)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102) is conjugate acid of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−) (CHEBI:82685)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102) is conjugate base of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor (CHEBI:83233)
Incoming Relation(s)
L-cysteinyl sulfurated eukaryotic molybdenum cofactor(2−) (CHEBI:60103) has functional parent Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor (CHEBI:83233) is conjugate acid of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−) (CHEBI:82685) is conjugate base of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102)
IUPAC Name 
{[(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]methyl dihydrogenato(4−) phosphate}(hydroxy)(oxido)(sulfido)molybdate(3−)
Synonym  Source
sulfurated eukaryotic molybdenum cofactor(3−)ChEBI
Citations