Summary

IMPPAT Phytochemical identifier: IMPHY017932

Phytochemical name: Ethyl 9-heptadecenoate

Synonymous chemical names:
ethyl 9-heptadecenoate

Chemical structure information

SMILES:
CCCCCCC/C=CCCCCCCCC(=O)OCC

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

InChIKey:
TVNFCCICUKOQBE-KHPPLWFESA-N

DeepSMILES:
CCCCCCC/C=CCCCCCCCC=O)OCC

Functional groups:
C/C=CC, 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: 0.614

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Chemical structure download