CHEBI:84256 - methyl phenylglyoxalate

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ChEBI Name methyl phenylglyoxalate ChEBI ID CHEBI:84256 Definition The methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H8O3 Net Charge 0 Average Mass 164.15800 Monoisotopic Mass 164.04734 InChI InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3 InChIKey YLHXLHGIAMFFBU-UHFFFAOYSA-N SMILES COC(=O)C(=O)c1ccccc1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Metabolite observed in cancer metabolism. See: PubMed Homo sapiens (NCBI:txid9606) See: MetaboLights Study Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 α-ketoester (CHEBI:51848) methyl phenylglyoxalate (CHEBI:84256) is a methyl ester (CHEBI:25248) IUPAC Name methyl oxo(phenyl)acetate Synonyms Sources α-oxobenzeneacetic acid methyl ester NIST Chemistry WebBook benzoylformic acid methyl ester NIST Chemistry WebBook methyl 2-oxo-2-phenylacetate NIST Chemistry WebBook methyl benzoylformate ChEBI methyl oxophenylacetate ChemIDplus phenylglyoxylic acid methyl ester ChemIDplus Registry Numbers Types Sources 1100868 Reaxys Registry Number Reaxys 15206-55-0 CAS Registry Number NIST Chemistry WebBook 15206-55-0 CAS Registry Number ChemIDplus Citations Types Sources 12398004 PubMed citation Europe PMC 20033429 PubMed citation Europe PMC 25518943 PubMed citation Europe PMC Last Modified 06 March 2015