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CHEBI:58698 - molybdopterin(3−)

ChEBI IDCHEBI:58698
ChEBI Namemolybdopterin(3−)
Stars
ASCII Namemolybdopterin(3-)
DefinitionThe trianion of molybdopterin obtained by deprotonation of the phosphate and 7-SH groups; major species at pH 7.3.
Last Modified11 November 2011
DownloadsMolfile
FormulaC10H11N5O6PS2
Net Charge-3
Average Mass392.335
Monoisotopic Mass391.99048
SMILES[H][C@@]12Nc3c(nc(N)nc3=O)N[C@]1([H])O[C@H](COP(=O)([O-])[O-])C([S-])=C2S
InChIInChI=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
InChIKeyHPEUEJRPDGMIMY-IFQPEPLCSA-K
ChEBI Ontology
Outgoing Relation(s)
molybdopterin(3−) (CHEBI:58698) is a organophosphate oxoanion (CHEBI:58945)
molybdopterin(3−) (CHEBI:58698) is conjugate base of molybdopterin (CHEBI:44074)
Incoming Relation(s)
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
UniProt Name  Source
molybdopterinUniProt
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