Structure Database (LMSD)

Systematic Name
16S-hydroxy-9Z,17-octadecadiene-12,14-diynoic acid
Synonyms
  • HOD
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

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

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

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

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
28th Jun 2022