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CHEBI:48526 - hydratropic acid
| Formula | C9H10O2 |
| Net Charge | 0 |
| Average Mass | 150.177 |
| Monoisotopic Mass | 150.06808 |
| SMILES | CC(C(=O)O)c1ccccc1 |
| InChI | InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11) |
| InChIKey | YPGCWEMNNLXISK-UHFFFAOYSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hydratropic acid (CHEBI:48526) has functional parent phenylacetic acid (CHEBI:30745) |
| hydratropic acid (CHEBI:48526) has role human xenobiotic metabolite (CHEBI:76967) |
| hydratropic acid (CHEBI:48526) is a 2-arylpropionic acid (CHEBI:16333) |
| Incoming Relation(s) |
| 2-(3-hydroxyphenyl)propionic acid (CHEBI:131432) has functional parent hydratropic acid (CHEBI:48526) |
| tropic acid (CHEBI:30765) has functional parent hydratropic acid (CHEBI:48526) |
| ximoprofen (CHEBI:48521) has functional parent hydratropic acid (CHEBI:48526) |
| (R)-hydratropic acid (CHEBI:43035) is a hydratropic acid (CHEBI:48526) |
| (S)-hydratropic acid (CHEBI:48527) is a hydratropic acid (CHEBI:48526) |
| IUPAC Name |
|---|
| 2-phenylpropanoic acid |
| Synonyms | Source |
|---|---|
| α-methylbenzeneacetic acid | NIST Chemistry WebBook |
| (±)-hydratropic acid | ChEBI |
| α-methylphenylacetic acid | NIST Chemistry WebBook |
| α-phenylpropionic acid | NIST Chemistry WebBook |
| Hydratropasäure | ChEBI |
| 2-phenylpropionic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011743 | HMDB |
| Citations |
|---|