Structure database (LMSD)

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LM IDLMFA07010021
Common NameHeptadecyl palmitoleate
Systematic NameHeptadecyl 9Z-hexadecenoate
SynonymsWE(17:0/16:1(9Z))
Exact Mass
492.4906 (neutral)    Calculate m/z:
FormulaC33H64O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922009
InChIKeyNXSPXGARRUKOME-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35-33(34)31-29-
27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-32H2,1-2H3/b16-14-
SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCC
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 Atoms35Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
591.76Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.94Molar
Refractivity
156.60