Summary
IMPPAT Phytochemical identifier: IMPHY013775
Phytochemical name: Methyl butyrate
Synonymous chemical names:mcthyl butanoate, methyl butanoate, methyl butyrate, methylbutyrate
External chemical identifiers:CID:12180, ChEMBL:CHEMBL15859, ChEBI:88806, ZINC:ZINC000000404765, FDASRS:CGX598508O, SureChEMBL:SCHEMBL13685, MolPort-003-927-474
Chemical structure information
SMILES:
CCCC(=O)OCInChI:
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3InChIKey:
UUIQMZJEGPQKFD-UHFFFAOYSA-NDeepSMILES:
CCCC=O)OCFunctional groups:
COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Fatty acid esters
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty esters
NP Classifier Class: Wax monoesters
NP-Likeness score: 0.383
Chemical structure download