Structure Database (LMSD)
Common Name
11-trans-LTE4
Systematic Name
5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11E14Z-eicosatetraenoic acid
Synonyms
- 11-trans-Leukotriene E4
3D model of 11-trans-LTE4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
OTZRAYGBFWZKMX-DVFCZEDWSA-N
InChi (Click to copy)
InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9+,12-11+,16-13+/t19-,20-,21+/m0/s1
SMILES (Click to copy)
C(/C/C=C\CCCCC)=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
464.08
Topological Polar Surface Area
120.85
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
5.46
Molar Refractivity
126.70
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Created at
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Updated at
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