Summary

IMPPAT Phytochemical identifier: IMPHY008889

Phytochemical name: Methyl 10-methylene-9-oxooctadecanoate

Synonymous chemical names:
methyl-10-methylene-9-oxooctadecanoate

External chemical identifiers:
CID:14582211, ZINC:ZINC000086050960

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Chemical structure information

SMILES:
CCCCCCCCC(=C)C(=O)CCCCCCCC(=O)OC

InChI:
InChI=1S/C20H36O3/c1-4-5-6-7-9-12-15-18(2)19(21)16-13-10-8-11-14-17-20(22)23-3/h2,4-17H2,1,3H3

InChIKey:
AWMXPBUJOVHPKE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=C)C=O)CCCCCCCC=O)OC

Functional groups:
C=C(C)C(C)=O, 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: 0.716

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Chemical structure download