Structure Database (LMSD)
Common Name
Erucicoyl-EA
Systematic Name
N-(13Z-docosanoyl)-ethanolamine
Synonyms
- Erucicoyl-ethanolamine
3D model of Erucicoyl-EA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Docosaenoyl ethanolamide is a member of the family of fatty N-acyl ethanolamines collectively called endocannabinoids.1,2,3 This long-chain ethanolamine has been detected at relatively high levels in rat cerebrospinal fluid and has been used to examine the function of voltage-dependent Ca2+ channels in skeletal muscle membranes.4,5
This information has been provided by Cayman Chemical
References
1. Bachur, N.R., and Udenfriend, S. Microsomal synthesis of fatty acid amides. The Journal of Biological Chemisty 241(6), 1308-1313 (1966).
References
String Representations
InChiKey (Click to copy)
UGYSMGXRWBTMRZ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C24H47NO2/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/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
SMILES (Click to copy)
C(=C/CCCCCCCCCCCC(=O)NCCO)/CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
447.06
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.26
Molar Refractivity
119.00
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Updated at
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