LIPID MAPS

Structure Database (LMSD)

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Systematic Name

16S-hydroxy-9Z,17-octadecadiene-12,14-diynoic acid

Synonyms

LM ID

LMFA01050600

Formula

C₁₈H₂₄O₃

Exact Mass

Calculate m/z

288.172545

Sum Composition

FA 18:6;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

HQHIHSWDBHBMOJ-IVZVJUQRSA-N

InChi (Click to copy)

InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-/t17-/m0/s1

SMILES (Click to copy)

C(CCCCCCC/C=C\CC#CC#C[C@@H](O)C=C)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dendropanax morbifer (#98373)

Magnoliopsida (#3398)

Polyacetylene From Dendropanax morbifera Alleviates Diet-Induced Obesity and Hepatic Steatosis by Activating AMPK Signaling Pathway.,
Front Pharmacol, 2018

Pubmed ID: 29875667

Other Databases

PubChem CID

132494036

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 327.85

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 3.59

Molar Refractivity 85.98

Admin

Created at

28th Jun 2022

Updated at