Structure Database (LMSD)
Common Name
Hepoxilin B3
Systematic Name
10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid
Synonyms
- HXB3
LM ID
LMFA03090003
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of Hepoxilin B3
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)
DWNBPRRXEVJMPO-RNGYDEEPSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/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/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20-/m0/s1
SMILES (Click to copy)
C(O)(/C=C\C/C=C\CCCC(O)=O)[C@@H]1O[C@H]1C/C=C\CCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
The identification of an epoxy-hydroxy acid as a product from the incubation of arachidonic acid with washed blood platelets.,
Prostaglandins, 1979
Prostaglandins, 1979
Pubmed ID:
523677
Platysiphonia
(#189639)
Florideophyceae
(#2806)
Discovery of the mammalian insulin release modulator, hepoxilin B3, from the tropical red algae Platysiphonia miniata and Cottoniella filamentosa.,
J Biol Chem, 1990
J Biol Chem, 1990
Pubmed ID:
2180942
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