Summary

IMPPAT Phytochemical identifier: IMPHY006033

Phytochemical name: Ethyl butyrate

Synonymous chemical names:
butyric acid ethyl ester, ethyl butanoate, ethyl butyrate, ethyl-butyrate, ethylbutyrate

External chemical identifiers:
CID:7762, ChEMBL:CHEMBL44800, ChEBI:88764, ZINC:ZINC000000404390, FDASRS:UFD2LZ005D, SureChEMBL:SCHEMBL6115, MolPort-001-783-797

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Chemical structure information

SMILES:
CCCC(=O)OCC

InChI:
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

InChIKey:
OBNCKNCVKJNDBV-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCC

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire 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: 0.037

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Chemical structure download