Structure Database (LMSD)

OH O N H
Common Name
N-(3-hydroxy-propyl) arachidonoyl amine
Systematic Name
N-(3-hydroxy-propyl)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-(3-hydroxy-propyl)arachidonoylamide
LM ID
LMFA08020018
Formula
C23H39NO2
Exact Mass
Calculate m/z
361.298079
Sum Composition
NA 23:4;O
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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
KFUGLIFIBPAGFC-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/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)NCCCO

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
XPR7032
PubChem CID
5283403

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 421.84
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.20
Molar Refractivity 114.10

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Created at
-
Updated at
5th Apr 2022