Structure Database (LMSD)
Common Name
14,15-LTC4
Systematic Name
15S-hydroxy-14R-(S-glutathionyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
Synonyms
- 14,15-Leukotriene C4
- EXC4
No other lipid differing only in stereochemistry/bond geometry found
3D model of 14,15-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)
OBQVBASHEWLKCQ-PKBWNXTMSA-N
InChi (Click to copy)
InChI=1S/C30H47N3O9S/c1-2-3-12-15-24(34)25(16-13-10-8-6-4-5-7-9-11-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h4,6-10,13,16,22-25,34H,2-3,5,11-12,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b6-4-,9-7-,10-8+,16-13+/t22-,23-,24-,25+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(O)=O)[C@@H](O)CCCCC)(=O)O
References
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
Admin
Created at
-
Updated at
14th May 2021