LIPID MAPS

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

C₁₇H₂₈O₃

Abbrev

FA 17:3;O

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

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

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

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

168216

PubChem CID

134812138

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

Created at

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Updated at

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Structure Database (LMSD)

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References

Taxonomy Information

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