Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010035
Common NameMyristyl myristate
Systematic Nametetradecanyl tetradecanoate
SynonymsWE(14:0/14:0); tetradecyl tetradecanoate
Exact Mass
424.4280 (neutral)    Calculate m/z:
FormulaC28H56O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID18605
InChIKeyDZKXJUASMGQEMA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-
16-14-12-10-8-6-4-2/h3-27H2,1-2H3
SMILESO=C(CCCCCCCCCCCCC)OCCCCCCCCCCCCCC
StatusActive
ReferencesStructural characterization of wax esters by electron ionization mass spectrometry
Klara Urbanova, Vladimir Vrkoslav, Irena Valterova, Martina Hakova, and Josef Cvacka
J. Lipid Res. 53:(1) 204-213 (2012)
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
507.90Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP10.22Molar
Refractivity
133.61