EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H10O3 |
| Net Charge | 0 |
| Average Mass | 166.176 |
| Monoisotopic Mass | 166.06299 |
| SMILES | O=C(O)[C@@H](CO)c1ccccc1 |
| InChI | InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1 |
| InChIKey | JACRWUWPXAESPB-QMMMGPOBSA-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) |
| (R)-tropic acid (CHEBI:30767) has functional parent (S)-hydratropic acid (CHEBI:48527) |
| (R)-tropic acid (CHEBI:30767) is a tropic acid (CHEBI:30765) |
| (R)-tropic acid (CHEBI:30767) is enantiomer of (S)-tropic acid (CHEBI:30766) |
| Incoming Relation(s) |
| (R)-atropine (CHEBI:48882) has functional parent (R)-tropic acid (CHEBI:30767) |
| (S)-tropic acid (CHEBI:30766) is enantiomer of (R)-tropic acid (CHEBI:30767) |
| IUPAC Name |
|---|
| (2R)-3-hydroxy-2-phenylpropanoic acid |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3198309 | Beilstein |