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

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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Oxidation of docosahexaenoic acid by rat liver microsomes.,
J Biol Chem, 1984
Pubmed ID: 6232277

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

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Created at
26th Mar 2025
Updated at
26th Mar 2025