Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000041

Phytochemical name: Ethyl tetradecanoate

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

External chemical identifiers:
CID:CID_31283, ChEMBL:CHEMBL207555, ChEBI:CHEBI:84849, ZINC:ZINC000043523728, FDASRS:6995S49749, SureChEMBL:SCHEMBL116495, MolPort-003-938-660

---

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

Link to spectral information:
MSBNK-EPA-ENTACT_AGILENT002493, MSBNK-EPA-ENTACT_AGILENT002494

---

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

---

Chemical structure download