Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000059

Phytochemical name: Ethyl linoleate

Synonymous chemical names:
Ethyl linoleate, ethyl linolate, ethyl linoleate b, Ethyl Linoleate, linoleic acid ethyl ester, ethyl linoleate, ethyl linoleate

External chemical identifiers:
CID:CID_5282184, ChEMBL:CHEMBL2106238, ChEBI:CHEBI:31572, ZINC:ZINC000004474575, FDASRS:MJ2YTT4J8M, SureChEMBL:SCHEMBL81540, MolPort-003-937-820

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Chemical structure information

SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC

InChI:
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-

InChIKey:
FMMOOAYVCKXGMF-MURFETPASA-N

DeepSMILES:
CCCCC/C=C\C/C=C\CCCCCCCC=O)OCC

Functional groups:
C/C=C\C, 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: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.875

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Chemical structure download