Structure Database (LMSD)

Common Name
N-tert-butyl arachidonoyl amine
Systematic Name
N-tert-butyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-tert-butylarachidonoylamide
LM ID
LMFA08020012
Formula
C24H41NO
Exact Mass
Calculate m/z
359.318814
Sum Composition
NA 24:4
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)
HZJPXXDVTLCBKG-SNPVRQPZSA-N
InChi (Click to copy)
InChI=1S/C24H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(26)25-24(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NC(C)(C)C

Other Databases

LIPIDBANK ID
XPR7026
PubChem CID
5283397

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 430.35
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.33
Molar Refractivity 116.81

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Created at
-
Updated at
5th Apr 2022