Structure Database (LMSD)
Common Name
11-(3-methyl-5-pentylfuran-2-yl)-undecanoic acid
Systematic Name
11-(5-pentyl-3-methylfuran-2-yl)-undecanoic acid
Synonyms
- 11M5
- MeF(11,5)
- 3-methyl-5-pentyl-2-furanundecanoic acid
3D model of 11-(3-methyl-5-pentylfuran-2-yl)-undecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
12,15-epoxy-13-methyl-12,14-Eicosadienoic acid is a furan fatty acid originally isolated from northern pike (E. lucius).1 Levels of 12,15-epoxy-13-methyl-12,14-eicosadienoic acid are increased in the liver of starving cod.2
This information has been provided by Cayman Chemical
References
2. Gunstone, F.D., Wijesundera, C., Love, R.M., et al. Relative enrichment of furan-containing fatty acids in the liver of starving cod. J. Chem. Soc. Chem. Commun. 645(16), 630-631 (1976).
References
Reference
Furan fatty acids: Occurrence, synthesis, and reactions. Are furan fatty acids responsible for the cardioprotective effects of a fish diet? Gerhard Spiteller. Lipids, Volume 40, Issue 8, August 2005. pp 755–771.
https://link.springer.com/article/10.1007/s11745-005-1438-5
https://link.springer.com/article/10.1007/s11745-005-1438-5
String Representations
InChiKey (Click to copy)
QDTBMEGPXZUECM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
SMILES (Click to copy)
C(CC)CCC1=CC(C)=C(CCCCCCCCCCC(=O)O)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
1
Rotatable Bonds
15
Van der Waals Molecular Volume
367.05
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.46
Molar Refractivity
99.57
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Updated at
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