Methyl butyrate (BioCAD00000030831)
Metabolite Card
Formula: C5H10O2 (102.0681)
SMILES: CCCC(=O)OC
Synonyms [en]
methyl butyrate; methyl butanoate; Methyl ester of butanoic acid; n-Butyric acid methyl ester; METHYL N-BUTYRATE; Butanoic acid, methyl ester
Last reviewed on 2024-06-28.
Cite this Page
Methyl butyrate. 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: BioCAD00000030831). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
Methyl butyrate belongs to the class of organic compounds known as organic acid methyl esters. Organic acid methyl esters are compounds containing an organic acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R= aliphatic tail or organyl group and R'=methyl group. Methyl butyrate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
DBLinks
- CAS Registry Number: 623-42-7
- PubChem CID: 12180
- ChEBI: 88806
- HMDB: HMDB0033890
- LipidMaps: LMFA07010528
- KEGG:
- BioCyc:
- NCBI MeSH: methyl butyrate
- Wikipedia: Methyl butyrate
Other DBLinks
- CAS Registry Number: 623-42-7
- PubChem: 12180
- ChEBI: ChEBI:88806
- HMDB: HMDB0033890
- HMDB: HMDB33890
- LipidMaps: LMFA07010528
- NCBI MeSH: methyl butyrate
- Wikipedia: Methyl butyrate
- Wikipedia: Methyl_butyrate
- RefMet: RM0140078
- MoNA: FiehnLibVolatile0001
- MoNA: HMDB0033890_c_ms_101431
- MoNA: HMDB0033890_c_ms_101432
- MoNA: HMDB0033890_c_ms_101433
- MoNA: HMDB0033890_c_ms_101434
- MoNA: JP002543
- MoNA: JP006491
- MoNA: JP008050
- MoNA: JP008847
- Metlin: METLIN_89596
- Coconut NaturalProduct: CNP0159910.0
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:88806] Methyl butyrate
- Coconut NaturalProduct: [Wax monoesters] Wax monoesters
Taxonomy Source
- Aralia elata [ncbi taxid: 82095]
- Atalantia buxifolia [ncbi taxid: 76974]
- Citrus sinensis [ncbi taxid: 2711]
- Ephedra equisetina [ncbi taxid: 173280]
- Foeniculum vulgare [ncbi taxid: ]
- Homo sapiens [ncbi taxid: 9606]
- Notopterygium incisum [ncbi taxid: ]
- Passiflora edulis [ncbi taxid: 78168]
- Thalictrum acutifolium [ncbi taxid: 1277762]
- Valeriana jatamansii [ncbi taxid: ]
Pathway Synthetic
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