Structure Database (LMSD)
Common Name
N-(17,17-dimethyl-5Z,8Z,11Z,14Z-heneicosatetraenoyl)-EA
Systematic Name
N-(17,17-dimethyl-5Z,8Z,11Z,14Z-heneicosatetraenoyl)-ethanolamine
Synonyms
- 17,17-dimethyl-5,8,11,14-all-cis-heneicosanoylethanolamine
3D model of N-(17,17-dimethyl-5Z,8Z,11Z,14Z-heneicosatetraenoyl)-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)
SHINZUYKJSHICY-RYSLWBTDSA-N
InChi (Click to copy)
InChI=1S/C25H43NO2/c1-4-5-20-25(2,3)21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24(28)26-22-23-27/h6-7,10-13,16,18,27H,4-5,8-9,14-15,17,19-23H2,1-3H3,(H,26,28)/b7-6-,12-10-,13-11-,18-16-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CC(C)(C)CCCC)=C/C/C=C\CCCC(=O)NCCO
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
456.44
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.84
Molar Refractivity
123.26
Admin
Created at
-
Updated at
7th Feb 2024