Structure database (LMSD)

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LM IDLMFA07010024
Common NameArachidyl palmitoleate
Systematic Nameeicosanyl 9Z-hexadecenoate
SynonymsWE(20:0/16:1(9Z)); eicosyl 9Z-hexadecenoate
Exact Mass
534.5376 (neutral)    Calculate m/z:
FormulaC36H70O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID5365040
InChIKeyFIETWBRPSYJUOM-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H70O2/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/h14,16H,3-13,15,17-35H2,1-2H3/b16-14
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SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCC
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 Atoms38Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
643.66Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP13.11Molar
Refractivity
170.45