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
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
Classification
References
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
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
Admin
Created at
-
Updated at
14th May 2021