Summary

IMPPAT Phytochemical identifier: IMPHY006554

Phytochemical name: Docosyl acetate

Synonymous chemical names:
docosanyl acetate

External chemical identifiers:
CID:69969, ZINC:ZINC000059725401

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C

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

InChIKey:
AWYRDXDPCQRJHE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCOC=O)C

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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.287

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Chemical structure download