Structure Database (LMSD)

Common Name
5-(3,4-dimethyl-5-pentylfuran-2-yl)-pentanoic acid
Systematic Name
5-(5-pentyl-3,4-dimethylfuran-2-yl)-pentanoic acid
Synonyms
  • 5D5
  • 3,4-dimethyl-5-pentyl-2-furanpentanoic acid
LM ID
LMFA01150024
Status
Active
Exact Mass
Calculate m/z
266.188195
Formula
Abbrev


Download as...
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)
IVHFOCAFZRRFIX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-4-5-6-9-14-12(2)13(3)15(19-14)10-7-8-11-16(17)18/h4-11H2,1-3H3,(H,17,18)
SMILES (Click to copy)
C(CC)CCC1=C(C)C(C)=C(CCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014
Perna canaliculus (#38949)
Bivalvia (#6544)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 280.55
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.43
Molar Refractivity 76.60

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Created at
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Updated at
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