LIPID MAPS

Structure Database (LMSD)

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Common Name

17-Hydroxylinoleic acid

Systematic Name

17-hydroxyoctadeca-9Z,12Z-dienoic acid

Synonyms

17-HODE

LM ID

LMFA02000399

Formula

C₁₈H₃₂O₃

Exact Mass

Calculate m/z

296.235145

Sum Composition

FA 18:2;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Analysis of cytochrome P450 metabolites of arachidonic and linoleic acids by liquid chromatography-mass spectrometry with ion trap MS.,
Anal Biochem, 1998

Pubmed ID: 9866708

String Representations

InChiKey (Click to copy)

PLKBLKWFUGXKDQ-YXRHTCTQSA-N

InChi (Click to copy)

InChI=1S/C18H32O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,17,19H,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

CHEBI ID

145302

PubChem CID

101967425

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 338.41

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 5.14

Molar Refractivity 88.90

Admin

Created at

18th Jan 2023

Updated at