Structure Database (LMSD)
Common Name
Linolenyl palmitate
Systematic Name
9Z,12Z,15Z-octadecatrienyl hexadecanoate
Synonyms
- WE(18:3(9Z,12Z,15Z)/16:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of Linolenyl palmitate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unidentified
(#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
J Lipid Res, 2012
Pubmed ID:
22058425
DOI:
10.1194/jlr.D020834
String Representations
InChiKey (Click to copy)
HNNWULCXHKISMF-SVNQLWEDSA-N
InChi (Click to copy)
InChI=1S/C34H62O2/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/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCCCC/C=C\C/C=C\C/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
0
Aromatic Rings
0
Rotatable Bonds
29
Van der Waals Molecular Volume
603.78
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
11.89
Molar Refractivity
161.02
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Updated at
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