Structure Database (LMSD)
Common Name
Myristoleyl behenate
Systematic Name
9Z-tetradecenyl docosanoate
Synonyms
- WE(14:1(9Z)/22:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of Myristoleyl behenate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GDAMRTVPVKYFCC-BENRWUELSA-N
InChi (Click to copy)
InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-35H2,1-2H3/b12-10-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCC/C=C\CCCC
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
643.66
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
13.11
Molar Refractivity
170.45
Admin
Created at
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Updated at
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