CHEBI:18280 - phenylglyoxylic acid

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ChEBI Name phenylglyoxylic acid ChEBI ID CHEBI:18280 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 Supplier Information ZINC000004228295 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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) InChIKey FAQJJMHZNSSFSM-UHFFFAOYSA-N 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. View more via ChEBI Ontology 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) IUPAC Name 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 BENZOYL-FORMIC ACID PDBeChem Benzoylformate KEGG COMPOUND Benzoylformic acid KEGG COMPOUND Phenylglyoxylate KEGG COMPOUND Phenylglyoxylic acid KEGG COMPOUND Manual Xrefs Databases 173 PDBeChem C02137 KEGG COMPOUND DB02279 DrugBank HMDB0001587 HMDB PHENYLGLYOXYLATE MetaCyc Phenylglyoxylic_acid Wikipedia View more database links Registry Numbers Types Sources 102031 Gmelin Registry Number Gmelin 606718 Reaxys Registry Number Reaxys 611-73-4 CAS Registry Number ChemIDplus 611-73-4 CAS Registry Number NIST Chemistry WebBook Citations Last Modified 23 October 2015