Structure Database (LMSD)

Common Name
(+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
Synonyms
  • (+/-)-2,16,16-trimethyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
LM ID
LMFA08020067
Formula
C28H48NOF
Exact Mass
Calculate m/z
433.371992
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)
FNVGQXLOPHGANI-RPHFINAJSA-N
InChi (Click to copy)
InChI=1S/C28H48FNO/c1-5-6-7-16-19-22-28(3,4)23-20-17-14-12-10-8-9-11-13-15-18-21-26(2)27(31)30-25-24-29/h8-9,12-15,20,23,26H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,30,31)/b9-8-,14-12-,15-13-,23-20-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C(C)(C)CCCCCCC)=C/C/C=C\CCC(C)C(=O)NCCF

Other Databases

LIPIDBANK ID
XPR7081
PubChem CID
5283439

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 505.62
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.84
Molar Refractivity 135.93

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Created at
-
Updated at
9th Apr 2021