Structure Database (LMSD)

Common Name
(+/-)N-(2-fluoro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Synonyms
  • (+/-)-2,16,-dimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
LM ID
LMFA08020068
Formula
C26H44NOF
Exact Mass
Calculate m/z
405.340692
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]
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)
RAMPXDRFGKYVNF-DOOWINBVSA-N
InChi (Click to copy)
InChI=1S/C26H44FNO/c1-4-5-6-16-19-24(2)20-17-14-12-10-8-7-9-11-13-15-18-21-25(3)26(29)28-23-22-27/h7,9-10,12-13,15,17,20,24-25H,4-6,8,11,14,16,18-19,21-23H2,1-3H3,(H,28,29)/b9-7-,12-10-,15-13-,20-17-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C(C)CCCCCC)=C/C/C=C\CCC(C)C(=O)NCCF

Other Databases

CHEBI ID
137785
LIPIDBANK ID
XPR7082
PubChem CID
5283440

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 471.02
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.06
Molar Refractivity 126.70

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Created at
-
Updated at
9th Apr 2021