Summary

IMPPAT Phytochemical identifier: IMPHY004399

Phytochemical name: Methyl linolenate

Synonymous chemical names:
linolenic acid methyl ester, linolenic acid, methyl ester, methyl linolenate, methyl linolenate, methyl-linolenate

External chemical identifiers:
CID:5319706, ChEMBL:CHEMBL1172198, ChEBI:133634, ZINC:ZINC000012405245, FDASRS:0S1NS923K6, SureChEMBL:SCHEMBL55951, MolPort-003-937-572

---

Chemical structure information

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

InChI:
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-

InChIKey:
DVWSXZIHSUZZKJ-YSTUJMKBSA-N

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

Functional groups:
C/C=CC, COC(C)=O

---

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: 1.193

---

Chemical structure download