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CHEBI:48527 - (S)-hydratropic acid
| Formula | C9H10O2 |
| Net Charge | 0 |
| Average Mass | 150.177 |
| Monoisotopic Mass | 150.06808 |
| SMILES | C[C@H](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)/t7-/m0/s1 |
| InChIKey | YPGCWEMNNLXISK-ZETCQYMHSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). 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) |
| (S)-hydratropic acid (CHEBI:48527) is a hydratropic acid (CHEBI:48526) |
| (S)-hydratropic acid (CHEBI:48527) is enantiomer of (R)-hydratropic acid (CHEBI:43035) |
| Incoming Relation(s) |
| (R)-tropic acid (CHEBI:30767) has functional parent (S)-hydratropic acid (CHEBI:48527) |
| dexketoprofen (CHEBI:76128) has functional parent (S)-hydratropic acid (CHEBI:48527) |
| (R)-hydratropic acid (CHEBI:43035) is enantiomer of (S)-hydratropic acid (CHEBI:48527) |
| IUPAC Name |
|---|
| (2S)-2-phenylpropanoic acid |
| Synonyms | Source |
|---|---|
| (S)-α-methylbenzeneacetic acid | NIST Chemistry WebBook |
| (S)-2-phenylpropanoic acid | ChEBI |
| (+)-hydratropic acid | ChEBI |
| (+)-Hydratropasäure | ChEBI |