Structure database (LMSD)

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LM IDLMFA07010019
Common NamePentadecyl palmitoleate
Systematic NamePentadecyl 9Z-hexadecenoate
SynonymsWE(15:0/16:1(9Z))
Exact Mass
464.4593 (neutral)    Calculate m/z:
FormulaC31H60O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922008
InChIKeySMPDUNNZRJZPTF-SQFISAMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)33-30-28-26-24-
22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-30H2,1-2H3/b15-13-
SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCC
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 Atoms33Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
557.16Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.16Molar
Refractivity
147.36