Structure Database (LMSD)
Common Name
Alpha-linolenoyl-EA
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
Synonyms
- N-cis-9,12,15-Octadecatrienoylethanolamine
- alpha-Linolenoyl ethanolamide
3D model of Alpha-linolenoyl-EA
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)
HBJXRRXWHSHZPU-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\CC)CCCCCC(=O)NCCO
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Structural requirements for binding of anandamide-type compounds to the brain cannabinoid receptor.,
J Med Chem, 1997
J Med Chem, 1997
Pubmed ID:
9057852
Sus scrofa
(#9823)
Mammalia
(#40674)
Two new unsaturated fatty acid ethanolamides in brain that bind to the cannabinoid receptor.,
J Med Chem, 1993
J Med Chem, 1993
Pubmed ID:
8411021
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR7007
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
372.58
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.25
Molar Refractivity
100.34
Admin
Created at
-
Updated at
7th Feb 2024