Summary

IMPPAT Phytochemical identifier: IMPHY006410

Phytochemical name: Ethyl linolenate

Synonymous chemical names:
ethyl linolenate, ethyl linolenate b, linolenic acid ethyl ester

External chemical identifiers:
CID:5367460, ChEMBL:CHEMBL2005772, ChEBI:84851, ZINC:ZINC000012405247, FDASRS:T54Y8H042V, SureChEMBL:SCHEMBL122342, MolPort-003-937-819

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Chemical structure information

SMILES:
CC/C=CC/C=CC/C=CCCCCCCCC(=O)OCC

InChI:
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-

InChIKey:
JYYFMIOPGOFNPK-AGRJPVHOSA-N

DeepSMILES:
CC/C=CC/C=CC/C=CCCCCCCCC=O)OCC

Functional groups:
C/C=CC, 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: 1.03

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Chemical structure download