Structure Database (LMSD)
Common Name
Bishomostearidonoyl-EA
Systematic Name
N-(8Z,11Z,14Z,17Z-eicoscatetraenoyl)-ethanolamine
Synonyms
- ETEA
- Bishomostearidonoyl ethanolamide
No other lipid differing only in stereochemistry/bond geometry found
3D model of Bishomostearidonoyl-EA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Quantification of 24 circulating endocannabinoids, endocannabinoid-related compounds, and their phospholipid precursors in human plasma by UHPLC-MS/MS.,
J Lipid Res, 2019
J Lipid Res, 2019
Pubmed ID:
31235475
DOI:
10.1194/jlr.D094680
String Representations
InChiKey (Click to copy)
ZTNVCFQDUOWGNJ-LTKCOYKYSA-N
InChi (Click to copy)
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,12-13,24H,2,5,8,11,14-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,13-12-
SMILES (Click to copy)
C(O)CNC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
404.54
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.81
Molar Refractivity
109.48
Admin
Created at
24th Aug 2019
Updated at
7th Feb 2024