Structure Database (LMSD)

Common Name
N-(4-benzenesulfonamide) arachidonoyl amine
Systematic Name
N-(4-benzenesulfonamide)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-(4-benzenesulfonamide)arachidonoyl amide
  • arachidonoyl-N-(4-benzenesulfonamide)amide
LM ID
LMFA08020050
Formula
C26H38N2O3S
Exact Mass
Calculate m/z
458.260315
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]

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)
JPTVAWAHYWEYRT-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C26H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-24-20-22-25(23-21-24)32(27,30)31/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,29)(H2,27,30,31)/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)NC1C=CC(S(N)(=O)=O)=CC=1

Other Databases

CHEBI ID
187089
LIPIDBANK ID
XPR7064
PubChem CID
5283431

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 480.86
Topological Polar Surface Area 89.26
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 7.50
Molar Refractivity 134.89

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Updated at
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