Summary

IMPPAT Phytochemical identifier: IMPHY016655

Phytochemical name: Octadecadienoic acid, ethyl ester, (Z,Z)-

Synonymous chemical names:
ethyl octadecadienoate

External chemical identifiers:
CID:54522427

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC=CC=CC(=O)OCC

InChI:
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h16-19H,3-15H2,1-2H3

InChIKey:
YQTHWRFQZQKWQF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=CC=CC=O)OCC

Functional groups:
CC=CC=CC(=O)OC

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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: 0.938

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Chemical structure download