Structure database (LMSD)

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LM IDLMFA07010033
Common NameMyristyl laurate
Systematic Nametetradecanyl dodecanoate
SynonymsWE(14:0/12:0); tetradecyl dodecanoate
Exact Mass
396.3967 (neutral)    Calculate m/z:
FormulaC26H52O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID89700
InChIKeyFNMPODAQERUMDD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H52O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-
12-10-8-6-4-2/h3-25H2,1-2H3
SMILESO=C(CCCCCCCCCCC)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 Atoms28Rings0Aromatic Rings0Rotatable Bonds24
 van der Waals
Molecular Volume
473.30Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP9.44Molar
Refractivity
124.37