Structure Database (LMSD)
Common Name
20-hydroxy LTB4
Systematic Name
5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
Synonyms
- 20-hydroxy Leukotriene B4
LM ID
LMFA03020018
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of 20-hydroxy LTB4
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)
PTJFJXLGRSTECQ-PSPARDEHSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCCO
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3120
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
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
-