EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:27750 - ethyl acetate
| Formula | C4H8O2 |
| Net Charge | 0 |
| Average Mass | 88.106 |
| Monoisotopic Mass | 88.05243 |
| SMILES | CCOC(C)=O |
| InChI | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 |
| InChIKey | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Chemical Role: | polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor An EC 3.4.19.* (omega-peptidase) inhibitor that interferes with the action of pyroglutamyl-peptidase I (EC 3.4.19.3). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| Application: | polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethyl acetate (CHEBI:27750) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| ethyl acetate (CHEBI:27750) has role EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor (CHEBI:77706) |
| ethyl acetate (CHEBI:27750) has role metabolite (CHEBI:25212) |
| ethyl acetate (CHEBI:27750) has role polar aprotic solvent (CHEBI:48358) |
| ethyl acetate (CHEBI:27750) is a acetate ester (CHEBI:47622) |
| ethyl acetate (CHEBI:27750) is a ethyl ester (CHEBI:23990) |
| ethyl acetate (CHEBI:27750) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| ethyl acetate |
| Synonyms | Source |
|---|---|
| 1-acetoxyethane | NIST Chemistry WebBook |
| acetic acid ethyl ester | ChemIDplus |
| acetic acid, ethyl ester | ChemIDplus |
| acetic ester | NIST Chemistry WebBook |
| acetoxyethane | ChemIDplus |
| Acetyl ester | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| ethyl acetate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00001308 | KNApSAcK |
| c0036 | UM-BBD |
| C00849 | KEGG COMPOUND |
| C01883 | KEGG COMPOUND |
| D02319 | KEGG DRUG |
| EEE | PDBeChem |
| Ethyl_acetate | Wikipedia |
| HMDB0031217 | HMDB |
| Citations |
|---|