Structure Database (LMSD)
Common Name
Hepoxilin A3
Systematic Name
8-hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid
Synonyms
- HXA3
LM ID
LMFA03090005
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of Hepoxilin A3
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)
SGTUOBURCVMACZ-SEVPPISGSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/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/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,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\CCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Arachidonic acid epoxides. Isolation and structure of two hydroxy epoxide intermediates in the formation of 8,11,12- and 10,11,12-trihydroxyeicosatrienoic acids.,
J Biol Chem, 1983
J Biol Chem, 1983
Pubmed ID:
6406490
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
366.80
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.26
Molar Refractivity
98.49
Admin
Created at
-
Updated at
9th May 2022