LIPID MAPS

Structure Database (LMSD)

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Common Name

(+/-)7(8)-EpDTE

Systematic Name

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

Synonyms

(+/-)7(8)-EpDoTE
3-2Z,5Z,8Z,11Z-tetradecatetraen-1-yl-2-oxiranehexanoic acid

LM ID

LMFA04000112

Formula

C₂₂H₃₄O₃

Exact Mass

Calculate m/z

346.250796

Sum Composition

FA 22:5;O

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)

BHODHHIOZSFCBJ-NEDCVQLASA-N

InChi (Click to copy)

InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-21(25-20)18-15-13-16-19-22(23)24/h3-4,6-7,9-10,12,14,20-21H,2,5,8,11,13,15-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,14-12-

SMILES (Click to copy)

C(CCCCCC1OC1C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

PubChem CID

168013020

Cayman ID

20326

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 1

Aromatic Rings

Rotatable Bonds 15

Van der Waals Molecular Volume 389.97

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.56

Molar Refractivity 105.72

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Created at

26th Mar 2025

Updated at