Structure Database (LMSD)

Common Name
3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid
Systematic Name
3-(5-carboxymethyl-3,4-dimethylfuran-2-yl)-propionic acid
Synonyms
  • 3-(5-carboxymethyl-3,4-dimethylfuran-2-yl)-propanoic acid
LM ID
LMFA01150048
Status
Active
Exact Mass
Calculate m/z
226.084125
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)
QFWCXMQJOBYESS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H14O5/c1-6-7(2)9(5-11(14)15)16-8(6)3-4-10(12)13/h3-5H2,1-2H3,(H,12,13)(H,14,15)
SMILES (Click to copy)
C(=O)(O)CC1=C(C)C(C)=C(CCC(=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
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 1
Rotatable Bonds 5
Van der Waals Molecular Volume 208.99
Topological Polar Surface Area 87.74
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 1.54
Molar Refractivity 55.48

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Updated at
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