Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000057

Phytochemical name: Methyl linoleate

Synonymous chemical names:
(z,z)-9,12-methyl octadecadienoate (= methyl linoleate), me-linolenate, methyl linoleate, methyllinoleate, methyl linoleate*, methylester of linoleic acid, methyl (z,z )-9,12-octadecadienoate, methyl linolate, methyl linoleate, methyl linoleolate, methyl ester of linoleic acid, Methyl linoleate, linoleic acid methyl ester

External chemical identifiers:
CID:CID_5284421, ChEMBL:CHEMBL3183866, ChEBI:CHEBI:69080, ZINC:ZINC000004501378, FDASRS:24N6726DE5, SureChEMBL:SCHEMBL56345, MolPort-001-785-547

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Chemical structure information

SMILES:
CCCCC/C=C\C/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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-

InChIKey:
WTTJVINHCBCLGX-NQLNTKRDSA-N

DeepSMILES:
CCCCC/C=C\C/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: 1.03

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Chemical structure download