Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017909

Phytochemical name: 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-

Synonymous chemical names:
9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-

External chemical identifiers:
CID:CID_9316, Molport-047-919-864

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Chemical structure information

SMILES:
CCC=CCC=CCC=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

InChIKey:
DVWSXZIHSUZZKJ-UHFFFAOYSA-N

DeepSMILES:
CCC=CCC=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: 1.193

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Chemical structure download