Structure Database (LMSD)
Common Name
N-(2-methyl-2S-hydroxy-ethyl) arachidonoyl amine
Systematic Name
N-(2-hydroxy-2S-methyl-ethyl)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
- N-(2-methyl-2S-hydroxy-ethyl)arachidonoylamide
No other lipid differing only in stereochemistry/bond geometry found
3D model of N-(2-methyl-2S-hydroxy-ethyl) arachidonoyl amine
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)
HTNMZCWZEMNFCR-AQNSPSBUSA-N
InChi (Click to copy)
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NC[C@H](C)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
421.84
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.20
Molar Refractivity
114.10
Admin
Created at
-
Updated at
18th Oct 2021