Structure database (LMSD)

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LM IDLMFA07010022
Common NameStearyl palmitoleate
Systematic Nameoctadecanyl 9Z-hexadecenoate
SynonymsWE(18:0/16:1(9Z)); octadecyl 9Z-hexadecenoate
Exact Mass
506.5063 (neutral)    Calculate m/z:
FormulaC34H66O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID5365187
InChIKeyOVIHKESDPWIFII-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-
30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-33H2,1-2H3/b16-14-
SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCC
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 Atoms36Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
609.06Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.33Molar
Refractivity
161.21