Methyl hexanoate (BioCAD00000031882)
Metabolite Card
Formula: C7H14O2 (130.0994)
SMILES: CCCCCC(=O)OC
Synonyms [en]
methyl hexanoate; methyl caproate; Methyl hexylate; hexanoic acid methyl ester; Methyl hexoate; Methyl n-hexanoate
Last reviewed on 2024-06-28.
Cite this Page
Methyl 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: BioCAD00000031882). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
Methyl hexanoate, also known as methyl caproate or methyl hexoic acid, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Methyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
DBLinks
- CAS Registry Number: 106-70-7
- PubChem CID: 7824
- ChEBI: 77322
- HMDB: HMDB0035238
- LipidMaps: LMFA07010433
- KEGG:
- BioCyc:
- NCBI MeSH: methyl caproate
- Wikipedia: Methyl hexanoate
Other DBLinks
- CAS Registry Number: 106-70-7
- PubChem: 7824
- ChEBI: ChEBI:77322
- HMDB: HMDB0035238
- HMDB: HMDB35238
- LipidMaps: LMFA07010433
- NCBI MeSH: methyl caproate
- Wikipedia: Methyl hexanoate
- Wikipedia: Methyl_hexanoate
- RefMet: RM0140024
- MoNA: FiehnLibVolatile0002
- MoNA: HMDB0035238_c_ms_101721
- MoNA: HMDB0035238_c_ms_101722
- MoNA: HMDB0035238_c_ms_101723
- MoNA: HMDB0035238_c_ms_101724
- MoNA: HMDB0035238_c_ms_101725
- MoNA: HMDB0035238_c_ms_101726
- MoNA: JP003222
- MoNA: JP005302
- MoNA: JP005833
- MoNA: JP006227
- MoNA: JP006242
- MoNA: JP006984
- Metlin: METLIN_90550
- Coconut NaturalProduct: CNP0192346.0
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:77322] methyl hexanoate
- Coconut NaturalProduct: [Wax monoesters] Wax monoesters
Taxonomy Source
- Akebia quinata [ncbi taxid: 13331]
- Akebia trifoliata [ncbi taxid: 155132]
- Angelica acutiloba [ncbi taxid: 55605]
- Angelica gigas [ncbi taxid: 85712]
- Angelica sinensis [ncbi taxid: 165353]
- Arnebia euchroma [ncbi taxid: 373122]
- Arnebia guttata [ncbi taxid: 419289]
- Ceratonia siliqua [ncbi taxid: 20340]
- Homo sapiens [ncbi taxid: 9606]
- Humulus lupulus [ncbi taxid: 3486]
- Lithospermum erythrorhizon [ncbi taxid: 34254]
- Passiflora edulis [ncbi taxid: 78168]
- Rhododendron dauricum [ncbi taxid: 880079]
- Syzygium aromaticum [ncbi taxid: 219868]
- Vitis vinifera [ncbi taxid: 29760]
Pathway Synthetic
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