LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

(+/-)19(20)-EpDTE

Systematic Name

19,20-epoxydocosa-7Z,10Z,13Z,16Z-tetraenoic acid

Synonyms

(+/-)19(20)-EpDoTE
18-(3-ethyl-2-oxiranyl)-7Z,10Z,13Z,16Z-octadecatetraenoic acid

LM ID

LMFA04000111

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)

LKOFAUCMWTWGQQ-OUVYEZRBSA-N

InChi (Click to copy)

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

SMILES (Click to copy)

C(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC)(=O)O

Other Databases

CHEBI ID

136573

PubChem CID

88553637

Cayman ID

20331

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

Admin

Created at

26th Mar 2025

Updated at