EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C11H12O5 |
| Net Charge | 0 |
| Average Mass | 224.212 |
| Monoisotopic Mass | 224.06847 |
| SMILES | O=C(O)C(O)C(Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C11H12O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)(H,15,16) |
| InChIKey | SDRCJDXJFGYTRZ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Benzylmalic acid (CHEBI:179102) is a benzenes (CHEBI:22712) |
| 3-Benzylmalic acid (CHEBI:179102) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| 2-benzyl-3-hydroxybutanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| C20654 | KEGG COMPOUND |
| 28682027 | ChemSpider |
| HMDB0142173 | HMDB |