Structure Database (LMSD)
Common Name
Lauryl linoleate
Systematic Name
dodecanyl 9Z,12Z-octadecadienoate
Synonyms
- WE(12:0/18:2(9Z,12Z))
- dodecyl 9Z,12Z-octadecadienoate
No other lipid differing only in stereochemistry/bond geometry found
3D model of Lauryl linoleate
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)
YEVRRNZSZWIYCX-BIXSNLIQSA-N
InChi (Click to copy)
InChI=1S/C30H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15,18-29H2,1-2H3/b13-11-,17-16-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\CCCCC)OCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
537.22
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
10.55
Molar Refractivity
142.65
Admin
Created at
-
Updated at
-