Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000058

Phytochemical name: Methyl oleate

Synonymous chemical names:
oleic acid, methyl ester, oleic acid methyl ester, methyl oleate

External chemical identifiers:
CID:CID_5364509, ChEMBL:CHEMBL465725, ChEBI:CHEBI:27542, ZINC:ZINC000038141473, FDASRS:39736AJ06R, SureChEMBL:SCHEMBL37371, MolPort-001-740-140

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Chemical structure information

SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OC

InChI:
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

InChIKey:
QYDYPVFESGNLHU-KHPPLWFESA-N

DeepSMILES:
CCCCCCCC/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: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.727

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Chemical structure download