Structure database (LMSD)

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LM IDLMFA07010048
Common NamePalmityl stearate
Systematic Namehexadecanyl octadecanoate
SynonymsWE(16:0/18:0); hexadecyl octadecanoate
Exact Mass
508.5219 (neutral)    Calculate m/z:
FormulaC34H68O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID70924
SWISSLIPIDS IDSLM:000389277
InChIKeySSZBUIDZHHWXNJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-
29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
SMILESO=C(CCCCCCCCCCCCCCCCC)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 Atoms36Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
611.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.56Molar
Refractivity
161.31