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CHEBI:18280 - phenylglyoxylic acid
| Formula | C8H6O3 |
| Net Charge | 0 |
| Average Mass | 150.133 |
| Monoisotopic Mass | 150.03169 |
| SMILES | O=C(O)C(=O)c1ccccc1 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| alpha-Oxo-benzeneacetic acid | KEGG COMPOUND |
| Benzoylformate | KEGG COMPOUND |
| Benzoylformic acid | KEGG COMPOUND |
| Phenylglyoxylic acid | KEGG COMPOUND |
| Phenylglyoxylate | KEGG COMPOUND |
| α-ketophenylacetic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C02137 | KEGG COMPOUND |
| 173 | PDBeChem |
| DB02279 | DrugBank |
| PHENYLGLYOXYLATE | MetaCyc |
| Phenylglyoxylic_acid | Wikipedia |
| HMDB0001587 | HMDB |
| Citations |
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