EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H10O5 |
| Net Charge | 0 |
| Average Mass | 162.141 |
| Monoisotopic Mass | 162.05282 |
| SMILES | CCC(C(=O)O)C(O)C(=O)O |
| InChI | InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11) |
| InChIKey | JUCRENBZZQKFGK-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-ethylmalic acid (CHEBI:15591) has functional parent succinic acid (CHEBI:15741) |
| 3-ethylmalic acid (CHEBI:15591) is a 2-hydroxydicarboxylic acid (CHEBI:50263) |
| 3-ethylmalic acid (CHEBI:15591) is conjugate acid of 3-ethylmalate(2−) (CHEBI:57425) |
| Incoming Relation(s) |
| 3-ethylmalate(2−) (CHEBI:57425) is conjugate base of 3-ethylmalic acid (CHEBI:15591) |
| IUPAC Name |
|---|
| 2-ethyl-3-hydroxybutanedioic acid |
| Synonym | Source |
|---|---|
| 3-Ethylmalate | KEGG COMPOUND |