Structure Database (LMSD)
Common Name
20-HETE-EA
Systematic Name
N-(20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Synonyms
- 20-HETE-ethanolamine
LM ID
LMFA08040039
Formula
Exact Mass
Calculate m/z
363.277344
Sum Composition
Status
Active
3D model of 20-HETE-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)
QRMZDMUHHZLRMH-DTLRTWKJSA-N
InChi (Click to copy)
InChI=1S/C22H37NO3/c24-20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(26)23-19-21-25/h1,3-4,6-7,9-10,12,24-25H,2,5,8,11,13-21H2,(H,23,26)/b3-1-,6-4-,9-7-,12-10-
SMILES (Click to copy)
C(NCCO)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
413.33
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
5.07
Molar Refractivity
111.38
Admin
Created at
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Updated at
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