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CHEBI:84260 - ethyl phenylglyoxylate

ChEBI IDCHEBI:84260
ChEBI Nameethyl phenylglyoxylate
Stars
DefinitionThe ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism.
Last Modified2 March 2015
Submitternamrata
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESCCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyQKLCQKPAECHXCQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
ethyl phenylglyoxylate (CHEBI:84260) has functional parent phenylglyoxylic acid (CHEBI:18280)
ethyl phenylglyoxylate (CHEBI:84260) has role human metabolite (CHEBI:77746)
ethyl phenylglyoxylate (CHEBI:84260) is a ethyl ester (CHEBI:23990)
IUPAC Name 
ethyl oxo(phenyl)acetate
Synonyms  Source
phenyl glyoxylic acid ethyl esterChEBI
ethyl 2-oxo-2-phenylacetateChemIDplus
ethyl oxophenylacetateChemIDplus
ethyl benzoylformateChemIDplus
Registry NumbersSources
Reaxys:1072921Reaxys
CAS:1603-79-8ChemIDplus
Citations