Structure Database (LMSD)

Common Name
N-methyl arachidonoyl amine
Systematic Name
N-methyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-methyl arachidonoylamide
LM ID
LMFA08020007
Formula
C21H35NO
Exact Mass
Calculate m/z
317.271864
Sum Composition
NA 21:4
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)
HTAWYBRCXMQDBL-ZKWNWVNESA-N
InChi (Click to copy)
InChI=1S/C21H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NC

Other Databases

CHEBI ID
137848
LIPIDBANK ID
XPR7021
PubChem CID
5283392
Cayman ID
10007294

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 378.45
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 102.47

Admin

Created at
-
Updated at
-