EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:156492 - hexyl hexanoate
| Formula | C12H24O2 |
| Net Charge | 0 |
| Average Mass | 200.322 |
| Monoisotopic Mass | 200.17763 |
| SMILES | CCCCCCOC(=O)CCCCC |
| InChI | InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3 |
| InChIKey | NCDCLPBOMHPFCV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | - | PubMed (19691320) | |
| Bursera schlechtendalii (ncbitaxon:80325) | - | PubMed (29777752) | |
| Selaginella doederleinii (ncbitaxon:186426) | - | PubMed (31892247) | |
| Fragaria x ananassa (ncbitaxon:3747) | fruit (BTO:0000486) | PubMed (32545160) |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexyl hexanoate (CHEBI:156492) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl hexanoate (CHEBI:156492) has role flavouring agent (CHEBI:35617) |
| hexyl hexanoate (CHEBI:156492) has role fragrance (CHEBI:48318) |
| hexyl hexanoate (CHEBI:156492) has role plant metabolite (CHEBI:76924) |
| hexyl hexanoate (CHEBI:156492) has role volatile oil component (CHEBI:27311) |
| hexyl hexanoate (CHEBI:156492) is a hexanoate ester (CHEBI:87656) |
| IUPAC Name |
|---|
| hexyl hexanoate |
| Synonyms | Source |
|---|---|
| hexanoic acid hexyl ester | ChEBI |
| hexanoic acid, hexyl ester | ChemIDplus |
| hexyl caproate | ChemIDplus |
| n-hexyl hexanoate | ChemIDplus |
| hexyl hexoate | ChemIDplus |
| n-hexyl caproate | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| hexyl hexanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| LMFA07010438 | LIPID MAPS |
| HMDB0033619 | HMDB |
| FDB011707 | FooDB |
| Citations |
|---|