EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:172781 - hexyl heptanoate
| Formula | C13H26O2 |
| Net Charge | 0 |
| Average Mass | 214.349 |
| Monoisotopic Mass | 214.19328 |
| SMILES | CCCCCCOC(=O)CCCCCC |
| InChI | InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | IFOGOHVJHKKYCT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) | |
| Angelica purpurascens (ncbitaxon:62993) | - | PubMed (31920428) | Present in trace amounts. |
| Proteles cristata (ncbitaxon:968) | - | PubMed (24272108) | Identified in the anal gland secretion. |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexyl heptanoate (CHEBI:172781) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl heptanoate (CHEBI:172781) has role flavouring agent (CHEBI:35617) |
| hexyl heptanoate (CHEBI:172781) has role human metabolite (CHEBI:77746) |
| hexyl heptanoate (CHEBI:172781) has role volatile oil component (CHEBI:27311) |
| hexyl heptanoate (CHEBI:172781) is a heptanoate ester (CHEBI:50898) |
| IUPAC Name |
|---|
| hexyl heptanoate |
| Synonyms | Source |
|---|---|
| 1-hexyl heptanoate | ChemIDplus |
| hexyl enanthate | ChemIDplus |
| heptanoic acid hexyl ester | ChemIDplus |
| FEMA 4337 | ChemIDplus |
| enanthic acid hexyl ester | ChEBI |
| n-hexyl heptanoate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 451920 | ChemSpider |
| HMDB0032326 | HMDB |
| Citations |
|---|