Structure Database (LMSD)

Common Name
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Systematic Name
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Synonyms
  • (16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl)propylamine
LM ID
LMFA08020046
Formula
C27H47NO
Exact Mass
Calculate m/z
401.365764
Sum Composition
NA 27:4
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]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthesis and pharmacological comparison of dimethylheptyl and pentyl analogs of anandamide.,
J Med Chem, 1997
Pubmed ID: 9357529

String Representations

InChiKey (Click to copy)
IRYRMYBLFNDWKY-GWEUNTIUSA-N
InChi (Click to copy)
InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C(C)(C)CCCCCC)=C/C/C=C\CCCC(=O)NCCC

Other Databases

LIPIDBANK ID
XPR7060
PubChem CID
5283428

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 482.25
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.36
Molar Refractivity 130.59

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Updated at
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