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CHEBI:32800 - (S)-mandelic acid
| Formula | C8H8O3 |
| Net Charge | 0 |
| Average Mass | 152.149 |
| Monoisotopic Mass | 152.04734 |
| SMILES | O=C(O)[C@@H](O)c1ccccc1 |
| InChI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1 |
| InChIKey | IWYDHOAUDWTVEP-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 Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-mandelic acid (CHEBI:32800) is a (2S)-2-hydroxy monocarboxylic acid (CHEBI:17375) |
| (S)-mandelic acid (CHEBI:32800) is a mandelic acid (CHEBI:35825) |
| (S)-mandelic acid (CHEBI:32800) is conjugate acid of (S)-mandelate (CHEBI:17756) |
| (S)-mandelic acid (CHEBI:32800) is enantiomer of (R)-mandelic acid (CHEBI:17656) |
| Incoming Relation(s) |
| (S)-mandelate (CHEBI:17756) is conjugate base of (S)-mandelic acid (CHEBI:32800) |
| (R)-mandelic acid (CHEBI:17656) is enantiomer of (S)-mandelic acid (CHEBI:32800) |
| IUPAC Name |
|---|
| (2S)-hydroxy(phenyl)acetic acid |
| Synonyms | Source |
|---|---|
| (S)-2-Hydroxy-2-phenylacetic acid | KEGG COMPOUND |
| (S)-Mandelic acid | KEGG COMPOUND |
| L-mandelic acid | ChemIDplus |
| (S)-α-hydroxybenzeneacetic acid | ChemIDplus |
| (S)-Mandelsäure | ChEBI |
| (S)-MANDELIC ACID | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2208678 | Beilstein |
| Gmelin:69017 | Gmelin |
| CAS:90-64-2 | KEGG COMPOUND |
| CAS:611-72-3 | KEGG COMPOUND |
| CAS:17199-29-0 | ChemIDplus |
| CAS:17199-29-0 | KEGG COMPOUND |