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
LM ID
LMFA01150013
Formula
Exact Mass
Calculate m/z
336.266445
Sum Composition
Status
Curated


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

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

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

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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