Summary

IMPPAT Phytochemical identifier: IMPHY003518

Phytochemical name: Methyl tetradecanoate

Synonymous chemical names:
methyl myristate, methyl tetradecanoate, tetradecanoic acid, methyl ester

External chemical identifiers:
CID:31284, ChEMBL:CHEMBL207549, ChEBI:89199, ZINC:ZINC000036431114, FDASRS:RG9851783C, SureChEMBL:SCHEMBL158121, MolPort-001-780-240

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3

InChIKey:
ZAZKJZBWRNNLDS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)OC

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: 0.283

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Chemical structure download