Ethyl hexanoate (BioCAD00000036349)
Metabolite Card
Formula: C8H16O2 (144.115)
SMILES: CCCCCC(=O)OCC
Synonyms [en]
ethyl hexanoate; ethyl caproate; hexanoic acid ethyl ester; Ethyl hexoate; Ethyl ester of hexanoic acid; Caproic acid ethyl ester
Last reviewed on 2024-06-28.
Cite this Page
Ethyl hexanoate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China.
https://biocad_registry.innovation.ac.cn/s/(-)-arctiin
(retrieved
2026-01-03) (CAD Registry RN: BioCAD00000036349). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
Ethyl hexanoate, also known as ethyl caproate or ethyl hexoic acid, is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester. Ethyl hexanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
DBLinks
- CAS Registry Number: 123-66-0
- PubChem CID: 31265
- ChEBI: 86055
- HMDB: HMDB0040209
- LipidMaps: LMFA07010434
- KEGG:
- BioCyc: CPD-10093
- NCBI MeSH: ethyl hexanoate
- Wikipedia: Ethyl hexanoate
Other DBLinks
- CAS Registry Number: 123-66-0
- PubChem: 31265
- ChEBI: ChEBI:86055
- HMDB: HMDB0040209
- HMDB: HMDB40209
- LipidMaps: LMFA07010434
- BioCyc: CPD-10093
- NCBI MeSH: ethyl hexanoate
- Wikipedia: Ethyl hexanoate
- Wikipedia: Ethyl_hexanoate
- RefMet: RM0140025
- MoNA: FiehnLibVolatile0035
- MoNA: HMDB0040209_c_ms_102066
- MoNA: HMDB0040209_c_ms_102067
- MoNA: JP005303
- MoNA: JP006985
- Metlin: METLIN_94742
- Coconut NaturalProduct: CNP0149883.0
Class / Ontology
- WishartLab ClassyFire: [Fatty acid esters] Fatty acid esters
- RefMet: [Short fatty esters] Short fatty esters
- LipidMaps: [Short fatty esters [FA0710]] Short fatty esters [FA0710]
- ChEBI: [CHEBI:86055] ethyl hexanoate
- Coconut NaturalProduct: [Wax monoesters] Wax monoesters
| ID | EC Number | Name |
|---|---|---|
| Rhea:RHEA:54857 | octan-3-one + NADPH + O2 + H+ => ethyl hexanoate + NADP+ + H2O | |
| Rhea:RHEA:54858 | ethyl hexanoate + NADP+ + H2O => octan-3-one + NADPH + O2 + H+ | |
| Rhea:RHEA:54859 | octan-3-one + NADPH + O2 + H+ <=> ethyl hexanoate + NADP+ + H2O | |
| Rhea:RHEA:65453 | hexanoyl-CoA + ethanol => ethyl hexanoate + CoA | |
| Rhea:RHEA:65454 | ethyl hexanoate + CoA => hexanoyl-CoA + ethanol | |
| Rhea:RHEA:65455 | hexanoyl-CoA + ethanol <=> ethyl hexanoate + CoA | |
| BioCyc:RXN3O-9873 | 2.3.1.- | ETOH + HEXANOYL-COA --> CPD-10093 + CO-A |
Taxonomy Source
- Ananas comosus [ncbi taxid: 4615]
- Ardisiae japonicae [ncbi taxid: ]
- Citrullus lanatus [ncbi taxid: 3654]
- Eugenia caryopyhllata [ncbi taxid: ]
- FOOD SAKE [ncbi taxid: ]
- Hippophae rhamnoides [ncbi taxid: 193516]
- Homo sapiens [ncbi taxid: 9606]
- Mandragora autumnalis [ncbi taxid: 389206]
- Passiflora edulis [ncbi taxid: 78168]
- Syzygium aromaticum [ncbi taxid: 219868]
- Vitis vinifera [ncbi taxid: 29760]
- Ziziphus mauritiana [ncbi taxid: 157914]
Pathway Synthetic
| pathway id | name |
|---|