Structure Database (LMSD)

Common Name
Adrenoyl-EA
Systematic Name
N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-ethanolamine
Synonyms
  • Adrenoyl-ethanolamine
LM ID
LMFA08040047
Formula
C24H41NO2
Exact Mass
Calculate m/z
375.313729
Sum Composition
NAE 22:4
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sus scrofa (#9823)
Mammalia (#40674)
Two new unsaturated fatty acid ethanolamides in brain that bind to the cannabinoid receptor.,
J Med Chem, 1993
Pubmed ID: 8411021

String Representations

InChiKey (Click to copy)
FMVHVRYFQIXOAF-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CC(=O)NCCO)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

Other Databases

KEGG ID
C13829
HMDB ID
HMDB0013626
CHEBI ID
34478
PubChem CID
5282273
SwissLipids ID
SLM:000598163
Cayman ID
90385
GuidePharm ID
5445

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 439.14
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.59
Molar Refractivity 118.71

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Created at
-
Updated at
16th Dec 2020