Summary

IMPPAT Phytochemical identifier: IMPHY009962

Phytochemical name: Ethyl tetradecanoate

Synonymous chemical names:
ethyl myristate, ethyl tetradecanoate, ethyl tetradecanoate*, myristic acid ethyl ester

External chemical identifiers:
CID:31283, ChEMBL:CHEMBL207555, ChEBI:84849, ZINC:ZINC000043523728, FDASRS:6995S49749, SureChEMBL:SCHEMBL116495, MolPort-003-938-660

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3

InChIKey:
MMKRHZKQPFCLLS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=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: 0.135

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Chemical structure download