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CHEBI:82685 - Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−)

ChEBI IDCHEBI:82685
ChEBI NameMo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−)
Stars
ASCII NameMo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the OH group attached to Mo in Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−); major species at pH 7.3.
Last Modified6 June 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H10MoN5O8PS3
Net Charge-4
Average Mass551.332
Monoisotopic Mass552.85051
SMILES[H][C@@]12Nc3c(nc(N)nc3=O)N[C@]1([H])O[C@H](COP(=O)([O-])[O-])C1=C2[S][Mo-](=[O])([O-])(=[S])[S]1
InChIInChI=1S/C10H14N5O6PS2.Mo.2O.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);;;;/q;+1;;-1;/p-4/t2-,3+,9-;;;;/m1..../s1
InChIKeyQLTSCNIIDNTDKD-BKZHXLINSA-J
ChEBI Ontology
Outgoing Relation(s)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−) (CHEBI:82685) is a organophosphate oxoanion (CHEBI:58945)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−) (CHEBI:82685) is conjugate base of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102)
Incoming Relation(s)
Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(3−) (CHEBI:60102) is conjugate acid of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−) (CHEBI:82685)
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}(dioxido)(sulfido)molybdate(4−)
Synonyms  Source
moco (sulfide)(4−)ChEBI
molybdenum cofactor (sulfide)(4−)ChEBI
MoOS(OH)Dtpp-mP(4−)ChEBI
Mo(=O)(=S)(‒OH)-molybdopterin cofactor(4−)ChEBI
UniProt Name  Source
thio-Mo-molybdopterinUniProt
Manual XrefsDatabases
CPD-8124MetaCyc
Citations