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CHEBI:84256 - methyl phenylglyoxalate

ChEBI IDCHEBI:84256
ChEBI Namemethyl phenylglyoxalate
Stars
DefinitionThe methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism.
Last Modified6 March 2015
Submitternamrata
DownloadsMolfile
FormulaC9H8O3
Net Charge0
Average Mass164.160
Monoisotopic Mass164.04734
SMILESCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYLHXLHGIAMFFBU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS152)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
methyl phenylglyoxalate (CHEBI:84256) has functional parent phenylglyoxylic acid (CHEBI:18280)
methyl phenylglyoxalate (CHEBI:84256) has role human metabolite (CHEBI:77746)
methyl phenylglyoxalate (CHEBI:84256) is a methyl ester (CHEBI:25248)
methyl phenylglyoxalate (CHEBI:84256) is a α-ketoester (CHEBI:51848)
IUPAC Name 
methyl oxo(phenyl)acetate
Synonyms  Source
benzoylformic acid methyl esterNIST Chemistry WebBook
methyl 2-oxo-2-phenylacetateNIST Chemistry WebBook
methyl benzoylformateChEBI
methyl oxophenylacetateChemIDplus
phenylglyoxylic acid methyl esterChemIDplus
α-oxobenzeneacetic acid methyl esterNIST Chemistry WebBook
Registry NumbersSources
Reaxys:1100868Reaxys
CAS:15206-55-0ChemIDplus
CAS:15206-55-0NIST Chemistry WebBook
Citations