EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H12O3 |
| Net Charge | 0 |
| Average Mass | 132.159 |
| Monoisotopic Mass | 132.07864 |
| SMILES | CCOC(=O)CC(C)O |
| InChI | InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 |
| InChIKey | OMSUIQOIVADKIM-UHFFFAOYSA-N |
| Roles Classification |
|---|
| 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) |
| ethyl 3-hydroxybutyrate (CHEBI:87685) has functional parent 3-hydroxybutyric acid (CHEBI:20067) |
| ethyl 3-hydroxybutyrate (CHEBI:87685) has role metabolite (CHEBI:25212) |
| ethyl 3-hydroxybutyrate (CHEBI:87685) is a fatty acid ethyl ester (CHEBI:78206) |
| Incoming Relation(s) |
| ethyl (R)-3-hydroxybutanoate (CHEBI:28707) is a ethyl 3-hydroxybutyrate (CHEBI:87685) |
| IUPAC Name |
|---|
| ethyl 3-hydroxybutanoate |
| Synonym | Source |
|---|---|
| ethyl β-hydroxybutyrate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040409 | HMDB |
| Citations |
|---|