LIPID MAPS

Structure Database (LMSD)

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Common Name

5(6)-EpODE

Systematic Name

5,6-Epoxy-9Z,12Z-octadecadienoic acid

Synonyms

LM ID

LMFA02000462

Formula

C₁₈H₃₀O₃

Exact Mass

Calculate m/z

294.219496

Sum Composition

FA 18:3;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin Standard

String Representations

InChiKey (Click to copy)

VKJKVBSGNYKEGH-HZJYTTRNSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-

SMILES (Click to copy)

C(CCCC1OC1CC/C=C\C/C=C\CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 326.05

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.44

Molar Refractivity 87.44

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Created at

19th Dec 2024

Updated at