Structure Database (LMSD)

Common Name
(+/-)N-(2-fluoro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Synonyms
  • (+/-)-2,17,-dimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
LM ID
LMFA08020070
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)
MHVQQJCJBNFDST-VXXJIHKHSA-N
InChi (Click to copy)
InChI=1S/C26H44FNO/c1-4-5-16-19-24(2)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(3)26(29)28-23-22-27/h7-10,13-15,17,24-25H,4-6,11-12,16,18-23H2,1-3H3,(H,28,29)/b9-7-,10-8-,15-13-,17-14-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CC(C)CCCCC)=C/C/C=C\CCC(C)C(=O)NCCF

Other Databases

LIPIDBANK ID
XPR7084
PubChem CID
5283442

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