LIPID MAPS

Structure Database (LMSD)

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Common Name

(+/-)7(8)-DiHDTE

Systematic Name

7,8-dihydroxydocosa-7Z,10Z,13Z,16Z-tetraenoic acid

Synonyms

(+/-)7(8)-DiHDoTE

LM ID

LMFA04000113

Formula

C₂₂H₃₆O₄

Exact Mass

Calculate m/z

364.261361

Sum Composition

FA 22:4;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

20332

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