Structure Database (LMSD)
Common Name
20-trifluoro-LTB4
Systematic Name
5S,12R-dihydroxy-20,20,20-trifluoro-6Z,8E,10E,14Z-eicosatetraenoic acid
Synonyms
- 20-trifluoro-Leukotriene B4
3D model of 20-trifluoro-LTB4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Biosynthesis of 20,20,20-trifluoroleukotriene B4 from 20,20,20-trifluoroarachidonic acid: a metabolically stable analog of leukotriene B4 and its application to a study of stimulation of leukotriene B4 synthesis by immunoglobulin G1,2.,
Arch Biochem Biophys, 1988
Arch Biochem Biophys, 1988
Pubmed ID:
2835934
String Representations
InChiKey (Click to copy)
YKIRCSCMMMEEDI-QAASZIRWSA-N
InChi (Click to copy)
InChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCC(F)(F)F
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
394.73
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.56
Molar Refractivity
100.74
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Created at
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Updated at
9th Dec 2020