Structure Database (LMSD)
Common Name
9-(5-pentylfuran-2-yl)-nonanoic acid
Systematic Name
5-pentyl-2-furannonanoic acid
Synonyms
- 10,13-Epoxy-10,12-ODE
3D model of 9-(5-pentylfuran-2-yl)-nonanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
10,13-epoxy-10,12-Octadecadienoic acid is a furan fatty acid produced by oxidation of 10(E),12(Z)-conjugated linoleic acid .1,2 It upregulates the expression of PLIN2, TPD52L2, and SEC13, which are involved in the formation of lipid droplets, and downregulates a variety of genes involved in general cellular processes in Caco-2 cells.2 10,13-epoxy-10,12-Octadecadienoic acid is cytotoxic to Caco-2 and HepG2 cells when used concentrations greater than or equal to 100 µM.
This information has been provided by Cayman Chemical
References
References
String Representations
InChiKey (Click to copy)
BJTONYHCPUUWFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-8-11-16-14-15-17(21-16)12-9-6-4-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CC)CCC1=CC=C(CCCCCCCCC(=O)O)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
315.15
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.37
Molar Refractivity
85.60
Admin
Created at
-
Updated at
2nd Dec 2024