Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010038
Common NamePalmityl myristate
Systematic Namehexadecanyl tetradecanoate
SynonymsWE(16:0/14:0); hexadecyl tetradecanoate
Exact Mass
452.4593 (neutral)    Calculate m/z:
FormulaC30H60O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID75779
InChIKeyQAKXLTNAJLFSQC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-
22-20-18-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILESO=C(CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
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 Atoms32Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
542.50Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.00Molar
Refractivity
142.84