LIPID MAPS

Structure Database (LMSD)

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Common Name

9(Z),15(Z)-13-HODE

Systematic Name

13-hydroxyoctadeca-9Z,15Z-dienoic acid

Synonyms

LM ID

LMFA02000419

Formula

C₁₈H₃₂O₃

Exact Mass

Calculate m/z

296.235145

Sum Composition

FA 18:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

gut metagenome (#749906)

α-Linolenic acid-derived metabolites from gut lactic acid bacteria induce differentiation of anti-inflammatory M2 macrophages through G protein-coupled receptor 40.,
FASEB J, 2018

Pubmed ID: 28904023

String Representations

InChiKey (Click to copy)

RXTABFLLDULHQN-DFLDIKSJSA-N

InChi (Click to copy)

InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11,17,19H,2,4-6,8,10,12-16H2,1H3,(H,20,21)/b9-7-,11-3-

SMILES (Click to copy)

C(CCCCCCC/C=C\CCC(O)C/C=C\CC)(=O)O

Other Databases

PubChem CID

124089055

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

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

19th Nov 2024

Updated at