Structure Database (LMSD)

Common Name
Tetracosahexaenoyl-EA
Systematic Name
N-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-ethanolamine
Synonyms
  • THEA
  • Tetracosahexaenoyl ethanolamide
  • Nisinoyl-EA
  • Nisinoyl ethanolamide
LM ID
LMFA08040067
Formula
C26H41NO2
Exact Mass
Calculate m/z
399.313729
Sum Composition
NAE 24:6
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Tetracosahexaenoylethanolamide, a novel N-acylethanolamide, is elevated in ischemia and increases neuronal output.,
J Lipid Res, 2020
Pubmed ID: 32826272

String Representations

InChiKey (Click to copy)
ABXZSQDOPQUFNZ-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h3-4,6-7,9-10,12-13,15-16,18-19,28H,2,5,8,11,14,17,20-25H2,1H3,(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)NCCO

Other Databases

PubChem CID
164190341
SwissLipids ID
SLM:000598150

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 468.46
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.92
Molar Refractivity 127.76

Admin

Created at
24th Aug 2020
Updated at
7th Feb 2024