EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H8O4 |
| Net Charge | 0 |
| Average Mass | 168.148 |
| Monoisotopic Mass | 168.04226 |
| SMILES | O=C(O)[C@@H](O)c1ccc(O)cc1 |
| InChI | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1 |
| InChIKey | YHXHKYRQLYQUIH-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: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-4-hydroxymandelic acid (CHEBI:32802) is a (2S)-2-hydroxy monocarboxylic acid (CHEBI:17375) |
| (S)-4-hydroxymandelic acid (CHEBI:32802) is a 4-hydroxymandelic acid (CHEBI:16388) |
| (S)-4-hydroxymandelic acid (CHEBI:32802) is conjugate acid of (S)-4-hydroxymandelate (CHEBI:17210) |
| (S)-4-hydroxymandelic acid (CHEBI:32802) is enantiomer of (R)-4-hydroxymandelic acid (CHEBI:32803) |
| Incoming Relation(s) |
| (S)-4-hydroxymandelate (CHEBI:17210) is conjugate base of (S)-4-hydroxymandelic acid (CHEBI:32802) |
| (R)-4-hydroxymandelic acid (CHEBI:32803) is enantiomer of (S)-4-hydroxymandelic acid (CHEBI:32802) |
| IUPAC Name |
|---|
| (2S)-hydroxy(4-hydroxyphenyl)acetic acid |
| Synonyms | Source |
|---|---|
| (S)-4-Hydroxymandelate | KEGG COMPOUND |
| (S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate | KEGG COMPOUND |
| 4-hydroxy-L-mandelic acid | ChEBI |