Summary

IMPPAT Phytochemical identifier: IMPHY013056

Phytochemical name: methyl (14Z,16Z)-octadeca-14,16-dienoate

Synonymous chemical names:
methyl octadeca-14,16-dienoate

External chemical identifiers:
CID:11630737, ZINC:ZINC000035964274

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Chemical structure information

SMILES:
C/C=CC=C/CCCCCCCCCCCCC(=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/h3-6H,7-18H2,1-2H3/b4-3-,6-5-

InChIKey:
ZILRQSBQUHWCBR-OUPQRBNQSA-N

DeepSMILES:
C/C=CC=C/CCCCCCCCCCCCC=O)OC

Functional groups:
C/C=CC=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 Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.08

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Chemical structure download