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
C22H37NO3
Exact Mass
Calculate m/z
363.277344
Sum Composition
NAE 20:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl ethanolamines (endocannabinoids) [FA0804]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

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

Other Databases

HMDB ID
HMDB0013630
CHEBI ID
136992
PubChem CID
35027640
Cayman ID
10008602

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

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Created at
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Updated at
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