EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:4893 - ethyl acetoacetate
| Formula | C6H10O3 |
| Net Charge | 0 |
| Average Mass | 130.143 |
| Monoisotopic Mass | 130.06299 |
| SMILES | CCOC(=O)CC(C)=O |
| InChI | InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
| InChIKey | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carica pentagona (IPNI:320148-2) | - | PubMed (30890485) |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethyl acetoacetate (CHEBI:4893) has functional parent acetoacetic acid (CHEBI:15344) |
| ethyl acetoacetate (CHEBI:4893) has role antibacterial agent (CHEBI:33282) |
| ethyl acetoacetate (CHEBI:4893) has role flavouring agent (CHEBI:35617) |
| ethyl acetoacetate (CHEBI:4893) has role plant metabolite (CHEBI:76924) |
| ethyl acetoacetate (CHEBI:4893) is a ethyl ester (CHEBI:23990) |
| IUPAC Name |
|---|
| ethyl 3-oxobutanoate |
| Synonyms | Source |
|---|---|
| 1-ethoxybutane-1,3-dione | ChemIDplus |
| 3-ketobutyric acid ethyl ester | ChEBI |
| 3-oxobutanoic acid ethyl ester | ChemIDplus |
| 3-oxobutyric acid ethyl ester | ChEBI |
| acetoacetic acid ethyl ester | ChemIDplus |
| active acetyl acetate | MetaCyc |
| UniProt Name | Source |
|---|---|
| ethyl 3-oxobutanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 13865426 | ChemSpider |
| C03500 | KEGG COMPOUND |
| EAC | PDBeChem |
| Ethyl_acetoacetate | Wikipedia |
| ETHYL-ACETOACETATE | MetaCyc |
| FDB003241 | FooDB |
| HMDB0031216 | HMDB |
| Citations |
|---|