LIPID MAPS

Structure Database (LMSD)

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Common Name

(+/-)14(15)-EpEDE

Systematic Name

(+/-)14,15-epoxy-8Z,11Z-eicosadienoic Acid

Synonyms

(+/-)13-(3-pentyl-2-oxiranyl)-8Z,11Z-tridecadienoic acid

LM ID

LMFA03000037

Formula

C₂₀H₃₄O₃

Exact Mass

Calculate m/z

322.250796

Sum Composition

FA 20:3;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Determination of polyunsaturated fatty acid monoepoxides by high performance liquid chromatography-mass spectrometry.,
J Chromatogr A, 2006

Pubmed ID: 16545829

String Representations

InChiKey (Click to copy)

ZXBWLXDDSYHRTE-QGIBGKBZSA-N

InChi (Click to copy)

InChI=1S/C20H34O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6,10,13,18-19H,2-3,5,7-9,11-12,14-17H2,1H3,(H,21,22)/b6-4-,13-10-

SMILES (Click to copy)

C(CCCCCC/C=C\C/C=C\CC1OC1CCCCC)(=O)O

Other Databases

CHEBI ID

191013

PubChem CID

102180628

Cayman ID

10007527

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings

Rotatable Bonds 15

Van der Waals Molecular Volume 360.65

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.22

Molar Refractivity 96.68

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Created at

26th Mar 2025

Updated at