Structure Database (LMSD)
Common Name
Hepoxilin A4
Systematic Name
8-hydroxy-11S,12S-epoxy-5Z,9E,14Z,17Z-eicosatetraenoic acid
Synonyms
- HXA4
LM ID
LMFA03090017
Formula
Exact Mass
Calculate m/z
334.214411
Sum Composition
Status
Curated
3D model of Hepoxilin 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)
GBSGALHVICSTLU-JHORJHIGSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,15-19,21H,2,5,8,11-14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1
SMILES (Click to copy)
C(CCC/C=C\CC(O)/C=C/[C@@H]1O[C@H]1C/C=C\C/C=C\CC)(=O)O
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
364.16
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.03
Molar Refractivity
98.39
Admin
Created at
7th Aug 2025
Updated at
7th Aug 2025