Structure Database (LMSD)
Common Name
11-trans-LTC4
Systematic Name
5S-hydroxy-6R-(S-glutathionyl)-7E,9E,11E,14Z-eicosatetraenoic acid
Synonyms
- 11-trans-Leukotriene C4
3D model of 11-trans-LTC4
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)
GWNVDXQDILPJIG-CCHJCNDSSA-N
InChi (Click to copy)
InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25+/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](N)C(=O)O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Mus musculus
(#10090)
Mammalia
(#40674)
11-Trans leukotriene C: a naturally occurring slow reacting substance.,
Biochem Biophys Res Commun, 1980
Biochem Biophys Res Commun, 1980
Pubmed ID:
6772184
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
0
Aromatic Rings
0
Rotatable Bonds
25
Van der Waals Molecular Volume
634.42
Topological Polar Surface Area
216.35
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
12
logP
4.49
Molar Refractivity
169.51
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Updated at
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