LIPID MAPS

Structure Database (LMSD)

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Common Name

17-oxo-linoleic acid

Systematic Name

17-Oxo-9Z,12Z-octadecadienoic acid

Synonyms

LM ID

LMFA01060258

Formula

C₁₈H₃₀O₃

Exact Mass

Calculate m/z

294.219496

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

Oryctolagus cuniculus (#9986)

Mammalia (#40674)

Analysis of 1,2-diols of linoleic, alpha-linolenic and arachidonic acid by gas chromatography--mass spectrometry using cyclic alkyl boronic esters.,
J Chromatogr, 1983

Pubmed ID: 6413523

String Representations

InChiKey (Click to copy)

YVRZPOMTELFWIM-YXRHTCTQSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9H,4-6,8,10-16H2,1H3,(H,20,21)/b3-2-,9-7-

SMILES (Click to copy)

C(CCCCCCC/C=C\C/C=C\CCCC(=O)C)(=O)O

Other Databases

PubChem CID

129775717

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

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

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Created at

11th Aug 2025

Updated at