12-epi LTB4

Ligand id: 6160

Name: 12-epi LTB4

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 77.76
Molecular weight 336.23
XLogP 4.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Synonyms
12(S)-Leukotriene B4
Database Links
CAS Registry No. 83709-73-3 (source: Scifinder)
ChEBI CHEBI:72795
ChEMBL Ligand CHEMBL1742496
Human Metabolome Database HMDB05089
PubChem CID 5283130
Search Google for chemical match using the InChIKey VNYSSYRCGWBHLG-CBBLYLIKSA-N
Search Google for chemicals with the same backbone VNYSSYRCGWBHLG