Structure Database (LMSD)

Common Name
N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine
Systematic Name
N-(1,1-dimethy-2-hydroxy-ethyl)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-(1,1-dimethyl-2-hydroxy-ethyl)arachidonoylamide
LM ID
LMFA08020019
Formula
C24H41NO2
Exact Mass
Calculate m/z
375.313729
Sum Composition
NA 24:4;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]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

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)
BJEGAFQVEFFEEW-GKFVBPDJSA-N
InChi (Click to copy)
InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(27)25-24(2,3)22-26/h8-9,11-12,14-15,17-18,26H,4-7,10,13,16,19-22H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NC(C)(C)CO

Other Databases

CHEBI ID
137844
LIPIDBANK ID
XPR7033
PubChem CID
5283404

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 439.14
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.59
Molar Refractivity 118.71

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Updated at
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