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CHEBI:36656 - phenylglyoxylate

ChEBI IDCHEBI:36656
ChEBI Namephenylglyoxylate
Stars
DefinitionA member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid.
Secondary ChEBI IDsCHEBI:13885, CHEBI:14783, CHEBI:25991
Last Modified8 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H5O3
Net Charge-1
Average Mass149.125
Monoisotopic Mass149.02442
SMILESO=C([O-])C(=O)c1ccccc1
InChIInChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)/p-1
InChIKeyFAQJJMHZNSSFSM-UHFFFAOYSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
phenylglyoxylate (CHEBI:36656) has functional parent glyoxylate (CHEBI:36655)
phenylglyoxylate (CHEBI:36656) has role human xenobiotic metabolite (CHEBI:76967)
phenylglyoxylate (CHEBI:36656) is a glyoxylates (CHEBI:51704)
phenylglyoxylate (CHEBI:36656) is conjugate base of phenylglyoxylic acid (CHEBI:18280)
Incoming Relation(s)
phenylglyoxylic acid (CHEBI:18280) is conjugate acid of phenylglyoxylate (CHEBI:36656)
IUPAC Name 
oxo(phenyl)acetate
Synonyms  Source
phenylglyoxylic acid anionChEBI
benzoylformic acid anionChEBI
UniProt Name  Source
phenylglyoxylateUniProt
Manual XrefsDatabases
PHENYLGLYOXYLATEMetaCyc
Registry NumbersSources
Gmelin:328162Gmelin
Reaxys:3904908Reaxys