Structure Database (LMSD)

Common Name
N-hydroxy arachidonoyl amine
Systematic Name
N-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-hydroxy-arachidonoylamide
LM ID
LMFA08020029
Formula
C20H33NO2
Exact Mass
Calculate m/z
319.251129
Sum Composition
NA 20:4;O
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)
Structural requirements for binding of anandamide-type compounds to the brain cannabinoid receptor.,
J Med Chem, 1997
Pubmed ID: 9057852

String Representations

InChiKey (Click to copy)
DWUNPFBWVHLUMP-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/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)NO

Other Databases

LIPIDBANK ID
XPR7043
PubChem CID
5283414

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 369.94
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.81
Molar Refractivity 98.20

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Updated at
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