Structure Database (LMSD)
Common Name
(+/-)7(8)-DiHDTE
Systematic Name
7,8-dihydroxydocosa-7Z,10Z,13Z,16Z-tetraenoic acid
Synonyms
- (+/-)7(8)-DiHDoTE
LM ID
LMFA04000113
Formula
Exact Mass
Calculate m/z
364.261361
Sum Composition
Status
Curated
3D model of (+/-)7(8)-DiHDTE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
(±)7(8)-DiHDTE is an oxylipin and an oxidative metabolite of docosapentaenoic acid (DPA). It is formed via cytochrome P450 (CYP) metabolism of DPA to the epoxide followed by hydrolysis to the diol by epoxide hydrolase.
This information has been provided by Cayman Chemical
References
String Representations
InChiKey (Click to copy)
HEMMISPGTYCXDI-NEDCVQLASA-N
InChi (Click to copy)
InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(23)21(24)18-15-13-16-19-22(25)26/h3-4,6-7,9-10,12,14,20-21,23-24H,2,5,8,11,13,15-19H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,14-12-
SMILES (Click to copy)
C(CCCCCC(O)C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
Other Databases
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
411.12
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.51
Molar Refractivity
109.08
Admin
Created at
26th Mar 2025
Updated at
26th Mar 2025