EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:87362 - pentyl acetate
| Formula | C7H14O2 |
| Net Charge | 0 |
| Average Mass | 130.187 |
| Monoisotopic Mass | 130.09938 |
| SMILES | CCCCCOC(C)=O |
| InChI | InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 |
| InChIKey | PGMYKACGEOXYJE-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) |
| pentyl acetate (CHEBI:87362) has functional parent pentan-1-ol (CHEBI:44884) |
| pentyl acetate (CHEBI:87362) has role metabolite (CHEBI:25212) |
| pentyl acetate (CHEBI:87362) is a acetate ester (CHEBI:47622) |
| IUPAC Name |
|---|
| pentyl acetate |
| Synonyms | Source |
|---|---|
| amyl acetate | ChEBI |
| Amyl acetic ester | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| pentyl acetate | UniProt |