Structure Database (LMSD)

Common Name
(+/-)N-(2-fluoro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
Synonyms
  • (+/-)-2-methyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
LM ID
LMFA08020071
Formula
C26H44NOF
Exact Mass
Calculate m/z
405.340692
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]
Halogenated fatty acids [FA0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Potent anandamide analogs: the effect of changing the length and branching of the end pentyl chain.,
J Med Chem, 1997
Pubmed ID: 9357528

String Representations

InChiKey (Click to copy)
GHGKPXOUKZEHPZ-AILJCPQKSA-N
InChi (Click to copy)
InChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCCCCC)=C/C/C=C\CCC(C)C(=O)NCCF

Other Databases

LIPIDBANK ID
XPR7085
PubChem CID
5283443

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 471.02
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.20
Molar Refractivity 126.77

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Created at
-
Updated at
9th Apr 2021