LXB4   

GtoPdb Ligand ID: 5216

Synonyms: lipoxin B4
Comment: Lipoxin B4 (LXB4) is a member of the lipoxin family. In inflammation it acts as a proresolving mediator [6].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 97.99
Molecular weight 352.22
XLogP 3.33
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC(C(C=CC=CC=CC=CC(CCCC(=O)O)O)O)O
Isomeric SMILES CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O)O
InChI InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1
InChI Key UXVRTOKOJOMENI-WLPVFMORSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
Synonyms
lipoxin B4
Database Links
CAS Registry No. 98049-69-5
ChEBI CHEBI:6499
GtoPdb PubChem SID 178101901
PubChem CID 5280915
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Wikipedia Lipoxin