Structure Database (LMSD)
Common Name
Trioxilin A4
Systematic Name
8,11,12-trihydroxy-5Z,9E,14Z,17Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03090018
Formula
Exact Mass
Calculate m/z
352.224976
Sum Composition
Status
Curated
3D model of Trioxilin A4
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)
GWRXSUUNZUWJCL-VZJNBGJCSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,21-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-7-,10-6-,16-15+
SMILES (Click to copy)
C(CCC/C=C\CC(O)/C=C/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
7th Nov 2025