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CHEBI:30851 - keto-phenylpyruvic acid

ChEBI IDCHEBI:30851
ChEBI Nameketo-phenylpyruvic acid
Stars
ASCII Nameketo-phenylpyruvic acid
DefinitionA 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway.
Secondary ChEBI IDsCHEBI:8105, CHEBI:26009, CHEBI:45005
Last Modified10 November 2016
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC9H8O3
Net Charge0
Average Mass164.160
Monoisotopic Mass164.04734
SMILESO=C(O)C(=O)Cc1ccccc1
InChIInChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKeyBTNMPGBKDVTSJY-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-oxo-3-phenylpropanoic acid
Synonyms  Source
PhenylpyruvateKEGG COMPOUND
Phenylpyruvic acidKEGG COMPOUND
alpha-Ketohydrocinnamic acidKEGG COMPOUND
keto-PhenylpyruvateKEGG COMPOUND
3-Phenyl-2-oxopropanoateKEGG COMPOUND
3-PHENYLPYRUVIC ACIDPDBeChem
Manual XrefsDatabases
C00166KEGG COMPOUND
PPYPDBeChem
DB03884DrugBank
C00000751KNApSAcK
HMDB0000205HMDB
Phenylpyruvic_acidWikipedia
YMDB00786YMDB
ECMDB00205ECMDB
Registry NumbersSources
Gmelin:972243Gmelin
Reaxys:2207312Reaxys
CAS:156-06-9KEGG COMPOUND
CAS:156-06-9ChemIDplus
CAS:156-06-9NIST Chemistry WebBook
Citations