Structure Database (LMSD)
Common Name
Hepoxilin B4
Systematic Name
10-hydroxy-11R,12S- epoxyeicosa-5Z,8Z,14Z,17Z-tetraenoic acid
Synonyms
LM ID
LMFA03090016
Formula
Exact Mass
Calculate m/z
334.214411
Sum Composition
Status
Curated
3D model of Hepoxilin 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)
OBMDDWFJCHGNRL-CVCWIQEXSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h3-4,6-7,9,11-12,14,17-18,20-21H,2,5,8,10,13,15-16H2,1H3,(H,22,23)/b4-3-,7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C(O)[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