Summary

IMPPAT Phytochemical identifier: IMPHY017259

Phytochemical name: Ethyl nonadecanoate

Synonymous chemical names:
ethyl nonadecanoate

External chemical identifiers:
CID:29008, ZINC:ZINC000070455619, SureChEMBL:SCHEMBL2145618, MolPort-003-913-196

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3

InChIKey:
ICVYQLQYVCXJNE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC=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: 0.106

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Chemical structure download