CHEBI:18280 - phenylglyoxylic acid

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ChEBI Name phenylglyoxylic acid
Definition A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39582, CHEBI:10323, CHEBI:25993
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Formula C8H6O3
Net Charge 0
Average Mass 150.13144
Monoisotopic Mass 150.03169
InChI InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
SMILES OC(=O)C(=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application(s): biomarker
A substance used as an indicator of a biological state.
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ChEBI Ontology
Outgoing phenylglyoxylic acid (CHEBI:18280) has functional parent glyoxylic acid (CHEBI:16891)
phenylglyoxylic acid (CHEBI:18280) has role biomarker (CHEBI:59163)
phenylglyoxylic acid (CHEBI:18280) has role human xenobiotic metabolite (CHEBI:76967)
phenylglyoxylic acid (CHEBI:18280) is a 2-oxo monocarboxylic acid (CHEBI:35910)
phenylglyoxylic acid (CHEBI:18280) is conjugate acid of phenylglyoxylate (CHEBI:36656)
Incoming ethyl phenylglyoxylate (CHEBI:84260) has functional parent phenylglyoxylic acid (CHEBI:18280)
methyl phenylglyoxalate (CHEBI:84256) has functional parent phenylglyoxylic acid (CHEBI:18280)
phenylglyoxylyl-CoA (CHEBI:50117) has functional parent phenylglyoxylic acid (CHEBI:18280)
phenylglyoxylate (CHEBI:36656) is conjugate base of phenylglyoxylic acid (CHEBI:18280)
oxo(phenyl)acetic acid
Synonyms Sources
2-Oxo-2-phenylacetate KEGG COMPOUND
2-oxo-2-phenylacetic acid ChemIDplus
2-phenylethanoic acid ChemIDplus
α-ketophenylacetic acid NIST Chemistry WebBook
alpha-Oxo-benzeneacetic acid KEGG COMPOUND
benzeneglyoxylic acid ChemIDplus
Benzoylformate KEGG COMPOUND
Benzoylformic acid KEGG COMPOUND
Phenylglyoxylate KEGG COMPOUND
Phenylglyoxylic acid KEGG COMPOUND
Manual Xrefs Databases
173 PDBeChem
DB02279 DrugBank
HMDB0001587 HMDB
Phenylglyoxylic_acid Wikipedia
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Registry Numbers Types Sources
102031 Gmelin Registry Number Gmelin
606718 Reaxys Registry Number Reaxys
606718 Beilstein Registry Number Beilstein
611-73-4 CAS Registry Number ChemIDplus
611-73-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
14598013 PubMed citation Europe PMC
20931367 PubMed citation Europe PMC
22750350 PubMed citation Europe PMC
7066236 PubMed citation Europe PMC
Last Modified
23 October 2015