LIPID MAPS

Structure Database (LMSD)

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Common Name

12(Z),15(Z)-10-oxo-ODE

Systematic Name

10-oxooctadeca-12Z,15Z-dienoic acid

Synonyms

LM ID

LMFA02000433

Formula

C₁₈H₃₀O₃

Exact Mass

Calculate m/z

294.219495

Sum Composition

FA 18:3;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin Standard

String Representations

InChiKey (Click to copy)

HIAXPMGDNFNROF-MLQKXRJWSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,8,11H,2,5-7,9-10,12-16H2,1H3,(H,20,21)/b4-3-,11-8-

SMILES (Click to copy)

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

Other Databases

PubChem CID

24970826

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 335.77

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.06

Molar Refractivity 87.38

Admin

Created at

26th Nov 2024

Updated at