Structure Database (LMSD)
Common Name
3,4-dimethyl-5-propyl-2-furanoctanoic acid;
Systematic Name
8-(3,4-dimethyl-5-propylfuran-2-yl)octanoic acid
Synonyms
- diMeF(9,3)
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JGGAKHTVIUIVPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-4-10-15-13(2)14(3)16(20-15)11-8-6-5-7-9-12-17(18)19/h4-12H2,1-3H3,(H,18,19)
SMILES (Click to copy)
C(C)CC1=C(C)C(C)=C(CCCCCCCC(=O)O)O1
References
Reference
Catabolism of fish furan fatty acids to urofuran acids in the rat. Biochimica et Biophysica Acta (BBA). Lipids and Lipid Metabolism. D. M. Sand, H. Schlenka, H.Thoma and G. Spiteller. Volume 751, Issue 3, May 1983, Pages 455-461.
https://www.sciencedirect.com/science/article/pii/0005276083903065?via%3Dihub
https://www.sciencedirect.com/science/article/pii/0005276083903065?via%3Dihub
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Catabolism of fish furan fatty acids to urofuran acids in the rat.,
Biochim Biophys Acta, 1983
Biochim Biophys Acta, 1983
Pubmed ID:
6849955
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
297.85
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.82
Molar Refractivity
81.22
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Updated at
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