Summary

IMPPAT Phytochemical identifier: IMPHY017375

Phytochemical name: 9,15-Octadecadienoic acid, methyl ester

Synonymous chemical names:
9,15,octadecadienoic acid,methyl ester,(z,z)-, 9,15-octadecadienoic acid,methyl ester,(z,z)-

External chemical identifiers:
CID:5362738, FDASRS:87WYY32N54

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Chemical structure information

SMILES:
CC/C=C/CCCC/C=C/CCCCCCCC(=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/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4+,11-10+

InChIKey:
OTROKOXHZSGHEN-PMXBNEBOSA-N

DeepSMILES:
CC/C=C/CCCC/C=C/CCCCCCCC=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: 0.89

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Chemical structure download