Summary

IMPPAT Phytochemical identifier: IMPHY009973

Phytochemical name: Ethyl valerate

Synonymous chemical names:
ethyl n-valerate, ethyl pentanoate, ethyl valerate

External chemical identifiers:
CID:10882, ChEMBL:CHEMBL47483, ChEBI:89771, ZINC:ZINC000001648285, FDASRS:95R258T4P6, SureChEMBL:SCHEMBL127083, MolPort-001-783-807

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Chemical structure information

SMILES:
CCCCC(=O)OCC

InChI:
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3

InChIKey:
ICMAFTSLXCXHRK-UHFFFAOYSA-N

DeepSMILES:
CCCCC=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: -0.062

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Chemical structure download