Summary

IMPPAT Phytochemical identifier: IMPHY012825

Phytochemical name: 11,13-Eicosadienoic acid, methyl ester

Synonymous chemical names:
11,13-eicosadienoic acid methyl ester

External chemical identifiers:
CID:5365674

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Chemical structure information

SMILES:
CCCCCC/C=C/C=C/CCCCCCCCCC(=O)OC

InChI:
InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h8-11H,3-7,12-20H2,1-2H3/b9-8+,11-10+

InChIKey:
QKVKDCGPQOJFNM-BNFZFUHLSA-N

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

Functional groups:
C/C=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: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates, Fatty esters

NP Classifier Class: Unsaturated fatty acids, Wax monoesters

NP-Likeness score: 0.862

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Chemical structure download