Summary

IMPPAT Phytochemical identifier: IMPHY016203

Phytochemical name: 11,14-Octadecadienoic acid, methyl ester

Synonymous chemical names:
11,14-octadecadienoic acid methyl ester

External chemical identifiers:
CID:5365677

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Chemical structure information

SMILES:
CCC/C=C/C/C=C/CCCCCCCCCC(=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/h5-6,8-9H,3-4,7,10-18H2,1-2H3/b6-5+,9-8+

InChIKey:
KXQNNBUXFKDSAX-HHWLVVFRSA-N

DeepSMILES:
CCC/C=C/C/C=C/CCCCCCCCCC=O)OC

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: 1.057

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Chemical structure download