CHEBI:58698 - molybdopterin(3−)

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ChEBI Name molybdopterin(3−)
ChEBI ID CHEBI:58698
ChEBI ASCII Name molybdopterin(3-)
Definition The trianion of molybdopterin obtained by deprotonation of the phosphate and 7-SH groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H11N5O6PS2
Net Charge -3
Average Mass 392.32800
Monoisotopic Mass 391.989
InChI InChI=1S/C10H14N5O6PS2/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)/p-3/t2-,3+,9-/m1/s1
InChIKey HPEUEJRPDGMIMY-IFQPEPLCSA-K
SMILES [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C([S-])[C@@H](COP([O-])([O-])=O)O2
ChEBI Ontology
Outgoing molybdopterin(3−) (CHEBI:58698) is a organophosphate oxoanion (CHEBI:58945)
molybdopterin(3−) (CHEBI:58698) is conjugate base of molybdopterin (CHEBI:44074)
Incoming molybdopterin (CHEBI:44074) is conjugate acid of molybdopterin(3−) (CHEBI:58698)
IUPAC Name
[(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate
Synonym Source
molybdopterin UniProt
Database Link Database
CPD-4 MetaCyc
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Last Modified
11 November 2011