Structure Database (LMSD)
Common Name
LTF4
Systematic Name
5S-hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
- Leukotriene F4
3D model of LTF4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PYSODLWHFWCFLV-VJBFNVCUSA-N
InChi (Click to copy)
InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1
SMILES (Click to copy)
C(/C/C=C\CCCCC)=C/C=C/C=C/[C@@H](SC[C@H](NC(CC[C@@H](C(=O)O)N)=O)C(=O)O)[C@@H](O)CCCC(O)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Interconversion of leukotrienes catalyzed by purified gamma-glutamyl transpeptidase: concomitant formation of leukotriene D4 and gamma-glutamyl amino acids.,
Proc Natl Acad Sci U S A, 1982
Proc Natl Acad Sci U S A, 1982
Pubmed ID:
6122208
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
582.67
Topological Polar Surface Area
187.25
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
5.09
Molar Refractivity
156.01
Admin
Created at
-
Updated at
-