Summary

IMPPAT Phytochemical identifier: IMPHY009624

Phytochemical name: Ethyl palmitate

Synonymous chemical names:
ethyl hexadecanoate, ethyl hexadecanoate (=ethyl palmitate), ethyl hexadecanoate*, ethyl palmitate, ethylpalmitate, hexadecanoic acid, ethyl ester, hexadecanoic acid,ethylester, palmitic acid ethyl ester

External chemical identifiers:
CID:12366, ChEMBL:CHEMBL3561042, ChEBI:84932, ZINC:ZINC000064858950, FDASRS:IRD3M534ZM, SureChEMBL:SCHEMBL120620, MolPort-003-938-952

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3

InChIKey:
XIRNKXNNONJFQO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=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: 0.122

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Chemical structure download