Structure database (LMSD)

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LM IDLMFA07010050
Common NameArachidyl palmitate
Systematic Nameeicosanyl hexadecanoate
SynonymsWE(20:0/16:0); eicosyl hexadecanoate
Exact Mass
536.5532 (neutral)    Calculate m/z:
FormulaC36H72O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID89702
SWISSLIPIDS IDSLM:000389997
InChIKeyOMQAAHBXTQQRLA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(
37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
SMILESO=C(CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC
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 Atoms38Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
646.30Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP13.34Molar
Refractivity
170.54