Structure Database (LMSD)

N O N H
Common Name
N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethylenediamine
Systematic Name
N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethylenediamine
Synonyms
  • N'-arachidonoyl-N''-diethyl ethylene diamine
  • N'-arachidonoyl-N''-diethylethylenediamine
LM ID
LMFA08020022
Formula
C26H46N2O
Exact Mass
Calculate m/z
402.361013
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
LOZCJJDEBAPQGP-AILJCPQKSA-N
InChi (Click to copy)
InChI=1S/C26H46N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(5-2)6-3/h10-11,13-14,16-17,19-20H,4-9,12,15,18,21-25H2,1-3H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NCCN(CC)CC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Structural requirements for binding of anandamide-type compounds to the brain cannabinoid receptor.,
J Med Chem, 1997
Pubmed ID: 9057852

Other Databases

LIPIDBANK ID
XPR7036
PubChem CID
5283407

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 475.95
Topological Polar Surface Area 32.34
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.73
Molar Refractivity 131.16

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Created at
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Updated at
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