Structure Database (LMSD)

Common Name
N-(3-methyl-butyl) arachidonoyl amine
Systematic Name
N-(3-methyl-butyl)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • N-(3-methyl-butyl)arachidonoylamide
LM ID
LMFA08020014
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)
HKYAUSBRNXNKIW-GKFVBPDJSA-N
InChi (Click to copy)
InChI=1S/C25H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)26-23-22-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,26,27)/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)NCCC(C)C

Other Databases

LIPIDBANK ID
XPR7028
PubChem CID
5283399

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
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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