EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H18O2 |
| Net Charge | 0 |
| Average Mass | 158.241 |
| Monoisotopic Mass | 158.13068 |
| SMILES | CCCCCCOC(=O)CC |
| InChI | InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3 |
| InChIKey | GOKKOFHHJFGZHW-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) |
| hexyl propanoate (CHEBI:87549) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl propanoate (CHEBI:87549) has role metabolite (CHEBI:25212) |
| hexyl propanoate (CHEBI:87549) is a fatty acid ester (CHEBI:35748) |
| hexyl propanoate (CHEBI:87549) is a propanoate ester (CHEBI:36243) |
| IUPAC Name |
|---|
| hexyl propanoate |
| Synonym | Source |
|---|---|
| hexyl propionate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034606 | HMDB |
| Citations |
|---|