EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:181931 - 2-Benzylmalate
| Formula | C11H12O5 |
| Net Charge | 0 |
| Average Mass | 224.212 |
| Monoisotopic Mass | 224.06847 |
| SMILES | O=C(O)C[C@](O)(Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C11H12O5/c12-9(13)7-11(16,10(14)15)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)/t11-/m1/s1 |
| InChIKey | ZNAJIKYTBCGAQQ-LLVKDONJSA-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) |
| 2-Benzylmalate (CHEBI:181931) is a benzenes (CHEBI:22712) |
| 2-Benzylmalate (CHEBI:181931) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| (2R)-2-benzyl-2-hydroxybutanedioic acid |