Summary

IMPPAT Phytochemical identifier: IMPHY004224

Phytochemical name: 9,12-Octadecadienoic acid methyl ester

Synonymous chemical names:
9,12-octadecadienoic acid methyl ester

Chemical structure information

SMILES:
CCCCCC=CCC=CCCCCCCCC(=O)OC

InChI:
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3

InChIKey:
WTTJVINHCBCLGX-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CCC=CCCCCCCCC=O)OC

Functional groups:
CC=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