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)
LM ID
LMFA01150057
Status
Active
Exact Mass
Calculate m/z
280.203845
Formula
Abbrev


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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
Pubmed ID: 6849955

Other Databases

CHEBI ID
PubChem CID

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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