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
336.230061
Sum Composition
Status
Curated
3D model of Hepoxilin B3
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
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
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