Structure Database (LMSD)

Common Name
N-propyl alpha,alpha-dimethylarachidonoyl amine
Systematic Name
N-propyl-2,2-dimethyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-propyl-alpha,alpha-dimethylarachidonoylamide
LM ID
LMFA08020034
Formula
C25H43NO
Exact Mass
Calculate m/z
373.334464
Sum Composition
NA 25:4
Status
Curated
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]

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)
DZZYKVXKTJYUPM-AILJCPQKSA-N
InChi (Click to copy)
InChI=1S/C25H43NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,4)24(27)26-23-6-2/h10-11,13-14,16-17,19-20H,5-9,12,15,18,21-23H2,1-4H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C)(C)C(=O)NCCC

Other Databases

LIPIDBANK ID
XPR7048
PubChem CID
5283417

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 447.65
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.58
Molar Refractivity 121.36

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Updated at
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