Structure database (LMSD)

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LM IDLMFA07010017
Common NameTridecyl palmitoleate
Systematic NameTridecyl 9Z-hexadecenoate
SynonymsWE(13:0/16:1(9Z))
Exact Mass
436.4280 (neutral)    Calculate m/z:
FormulaC29H56O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922007
InChIKeyOVEVWLJVQMXLKU-SQFISAMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H56O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29(30)31-28-26-24-22-
20-18-14-12-10-8-6-4-2/h13,15H,3-12,14,16-28H2,1-2H3/b15-13-
SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCC
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 Atoms31Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
522.56Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP10.38Molar
Refractivity
138.13