Structure Database (LMSD)
Common Name
Lipoxin B4
Systematic Name
5S,14R,15S-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid
Synonyms
- LXB4
LM ID
LMFA03040002
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of Lipoxin B4
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)
UXVRTOKOJOMENI-WLPVFMORSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C(/C=C/[C@@H](O)CCCC(O)=O)=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCCC
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR4101
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.99
Molar Refractivity
101.75
Admin
Created at
-
Updated at
-