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 No supplier information found for this compound.
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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Last Modified
06 June 2024