LIPID MAPS

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

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".

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

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

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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