Structure Database (LMSD)
Common Name
Trioxilin B4
Systematic Name
10,11,12-trihydroxy-5Z,8Z,14Z,17Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03090019
Formula
Exact Mass
Calculate m/z
352.224976
Sum Composition
Status
Curated
3D model of Trioxilin B4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
ZFEDJGVEKTWFMY-GMNRJPAISA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h3-4,6-8,11-12,15,17-18,20-22,25H,2,5,9-10,13-14,16H2,1H3,(H,23,24)/b4-3-,7-6-,11-8-,15-12-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C(O)C(O)C(O)C/C=C\C/C=C\CC)(=O)O
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
Aromatic Rings
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
6th Nov 2025
Updated at
6th Nov 2025