Structure database (LMSD)

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LM IDLMFA07010030
Common NameHexacosanyl palmitoleate
Systematic NameHexacosanyl 9Z-hexadecenoate
SynonymsWE(26:0/16:1(9Z)); Hexacosyl 9Z-hexadecenoate
Exact Mass
618.6315 (neutral)    Calculate m/z:
FormulaC42H82O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922016
InChIKeyURTNIMYASFIGMX-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H82O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-
35-37-39-41-44-42(43)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17
-41H2,1-2H3/b16-14-
SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCCCC
StatusActive
ReferencesComprehensive analysis of the major lipid classes in sebum
by rapid resolution high-performance liquid chromatography
and electrospray mass spectrometry
Emanuela Camera, Matteo Ludovici, Marisa Galante, Jo-Linda Sinagra, and Mauro Picardo
J. Lipid Res. 2010 51:(11) 3377-3388
Calculated physicochemical properties (?):
 Heavy Atoms44Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
747.46Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP15.45Molar
Refractivity
198.15