CHEBI:71305 - W(VI)O2(OH)-molybdopterin cofactor(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name W(VI)O2(OH)-molybdopterin cofactor(4−)
ChEBI ID CHEBI:71305
ChEBI ASCII Name W(VI)O2(OH)-molybdopterin cofactor(4-)
Definition An organophosphate oxoanion obtained by deprotonation of the OH groups of W(VI)O2(OH)-molybdopterin cofactor.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C10H10N5O9PS2W
Net Charge -4
Average Mass 623.150
Monoisotopic Mass 622.91888
InChI InChI=1S/C10H14N5O6PS2.3O.W/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 OFWIRMFWIRUWOK-BKZHXLINSA-J
SMILES [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[W-]([O-])(=O)(=O)S1)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC(N)=N3
ChEBI Ontology
Outgoing W(VI)O2(OH)-molybdopterin cofactor(4−) (CHEBI:71305) is a organophosphate oxoanion (CHEBI:58945)
W(VI)O2(OH)-molybdopterin cofactor(4−) (CHEBI:71305) is conjugate base of W(VI)O2(OH)-molybdopterin cofactor (CHEBI:71307)
Incoming W(VI)O2(OH)-molybdopterin cofactor (CHEBI:71307) is conjugate acid of W(VI)O2(OH)-molybdopterin cofactor(4−) (CHEBI:71305)
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}(trioxido)wolframate(4−)
Synonyms Sources
W-molybdopterin cofactor UniProt
WO2(OH)-molybdopterin cofactor(4−) ChEBI
Last Modified
06 June 2024