Summary

IMPPAT Phytochemical identifier: IMPHY016656

Phytochemical name: Ethyl tetracosanoate

Synonymous chemical names:
ethyl tetracosanoate

External chemical identifiers:
CID:141135, ZINC:ZINC000085922183, SureChEMBL:SCHEMBL3505350, MolPort-028-747-937

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C26H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-4-2/h3-25H2,1-2H3

InChIKey:
AKXFYSSXNQQBNT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=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: 0.087

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Chemical structure download