Summary

IMPPAT Phytochemical identifier: IMPHY008073

Phytochemical name: Ethyl docosanoate

Synonymous chemical names:
ethyl docosanoate

External chemical identifiers:
CID:22199, ZINC:ZINC000070451016, FDASRS:P3XW559OLD, SureChEMBL:SCHEMBL25276

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h3-23H2,1-2H3

InChIKey:
JIZCYLOUIAIZHQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)OCC

Functional groups:
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: 0.094

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Chemical structure download