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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4−)
ChEBI ID CHEBI:82685
ChEBI ASCII Name Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C10H10MoN5O8PS3
Net Charge -4
Average Mass 551.320
Monoisotopic Mass 552.85051
InChI InChI=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
InChIKey QLTSCNIIDNTDKD-BKZHXLINSA-J
SMILES [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo-]([O-])(=O)(=S)S1)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC(N)=N3
ChEBI Ontology
Outgoing 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 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 Sources
Mo(=O)(=S)(‒OH)-molybdopterin cofactor(4−) ChEBI
moco (sulfide)(4−) ChEBI
molybdenum cofactor (sulfide)(4−) ChEBI
MoOS(OH)Dtpp-mP(4−) ChEBI
thio-Mo-molybdopterin UniProt
Manual Xref Database
CPD-8124 MetaCyc
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Citations Waiting for Citations Types Sources
15561708 PubMed citation SUBMITTER
18258600 PubMed citation SUBMITTER
Last Modified
06 June 2024