Summary

IMPPAT Phytochemical identifier: IMPHY008858

Phytochemical name: Methyl 9-methylene-8-oxoheptadecanoate

Synonymous chemical names:
methyl-9-methylene-8-oxoheptadecanoate

External chemical identifiers:
CID:14582212, ZINC:ZINC000086050956

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Chemical structure information

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

InChI:
InChI=1S/C19H34O3/c1-4-5-6-7-8-11-14-17(2)18(20)15-12-9-10-13-16-19(21)22-3/h2,4-16H2,1,3H3

InChIKey:
OPCAYVVIAWSNMJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=C)C=O)CCCCCCC=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: 0.749

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Chemical structure download