Structure Database (LMSD)

Common Name
N-(4-bromo-benzenesulfon) arachidonoyl amine
Systematic Name
N-(4-bromo-benzenesulfon)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-(4-bromo-benzenesulfon)arachidonoylamide
  • arachidonoyl-(4'-bromobenzenesulfon)amide
LM ID
LMFA08020051
Formula
C26H36NO3SBr
Exact Mass
Calculate m/z
521.159927
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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]
Halogenated fatty acids [FA0109]
Carbocyclic fatty acids [FA0114]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Evaluation of cannabinoid receptor binding and in vivo activities for anandamide analogs.,
J Pharmacol Exp Ther, 1995
Pubmed ID: 7791088

String Representations

InChiKey (Click to copy)
XBZRFJGVPZVURY-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C26H36BrNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-32(30,31)25-22-20-24(27)21-23-25/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,29)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NS(C1C=CC(Br)=CC=1)(=O)=O

Other Databases

LIPIDBANK ID
XPR7065
PubChem CID
5283432

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 489.14
Topological Polar Surface Area 63.24
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 8.48
Molar Refractivity 137.92

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Created at
-
Updated at
14th Apr 2021