Structure Database (LMSD)

Common Name
3-thiodimethylarsenopropanoic acid
Systematic Name
3-thio-3-dimethylarsenoyl propanoic acid
Synonyms
  • thio-DMAP
LM ID
LMFA00000040
Status
Active
Exact Mass
Calculate m/z
209.969573
Formula


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)
ICLSKJLFAMHPGA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H11AsO2S/c1-6(2,9)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
SMILES (Click to copy)
C(CC(O)=O)[As](C)(=S)C

References

Reference
Arsenic Fatty Acids Are Human Urinary Metabolites of Arsenolipids Present in Cod Liver. Ernst Schmeisser, Alice Rumpler, Manfred Kollroser, Gerald Rechberger, Walter Goessler and Kevin A. Francesconi. Angewandte Chemie International Edition. Volume 45, Issue 1, December 16, 2005, pp. 150-154. https://doi.org/10.1002/anie.200502706


https://onlinelibrary.wiley.com/doi/full/10.1002/anie.200502706

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Arsenic fatty acids are human urinary metabolites of arsenolipids present in cod liver.,
Angew Chem Int Ed Engl, 2005
Pubmed ID: 16307462

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 150.43
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.86
Molar Refractivity 42.13

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Updated at
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