Structure database (LMSD)

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LM IDLMFA07010042
Common NameMyristyl stearate
Systematic Nametetradecanyl octadecanoate
SynonymsWE(14:0/18:0); tetradecyl octadecanoate
Exact Mass
480.4906 (neutral)    Calculate m/z:
FormulaC32H64O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID28678
InChIKeyMHXBHWLGRWOABW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-
27-25-23-21-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
SMILESO=C(CCCCCCCCCCCCCCCCC)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 Atoms34Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
577.10Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.78Molar
Refractivity
152.07