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CHEBI:57766 - 3-(imidazol-4-yl)-2-oxopropyl phosphate(2−)

ChEBI IDCHEBI:57766
ChEBI Name3-(imidazol-4-yl)-2-oxopropyl phosphate(2−)
Stars
ASCII Name3-(imidazol-4-yl)-2-oxopropyl phosphate(2-)
DefinitionDianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC6H7N2O5P
Net Charge-2
Average Mass218.105
Monoisotopic Mass218.01036
SMILESO=C(COP(=O)([O-])[O-])Cc1cncn1
InChIInChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)/p-2
InChIKeyYCFFMSOLUMRAMD-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
3-(imidazol-4-yl)-2-oxopropyl phosphate(2−) (CHEBI:57766) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-(imidazol-4-yl)-2-oxopropyl phosphate(2−) (CHEBI:57766) is a organophosphate oxoanion (CHEBI:58945)
3-(imidazol-4-yl)-2-oxopropyl phosphate(2−) (CHEBI:57766) is conjugate base of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426)
Incoming Relation(s)
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426) is conjugate acid of 3-(imidazol-4-yl)-2-oxopropyl phosphate(2−) (CHEBI:57766)
IUPAC Name 
3-(1H-imidazol-4-yl)-2-oxopropyl phosphate
Synonym  Source
3-(imidazol-4-yl)-2-oxopropyl phosphate dianionChEBI
UniProt Name  Source
3-(imidazol-4-yl)-2-oxopropyl phosphateUniProt