Summary

IMPPAT Phytochemical identifier: IMPHY010156

Phytochemical name: Ethyl 14-oxotetracosanoate

Synonymous chemical names:
ethyl 14-oxotetracosanoate

External chemical identifiers:
CID:71319470

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)CCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C26H50O3/c1-3-5-6-7-8-13-16-19-22-25(27)23-20-17-14-11-9-10-12-15-18-21-24-26(28)29-4-2/h3-24H2,1-2H3

InChIKey:
DWUVHECBKJLRHK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O)CCCCCCCCCCCCC=O)OCC

Functional groups:
CC(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: 0.266

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Chemical structure download