Structure Database (LMSD)

Common Name
4-thiodimethylarsenobutanoic acid
Systematic Name
4-thiodimethylarsenoyl butanoic acid
Synonyms
  • thio-DMAB
LM ID
LMFA00000041
Status
Active
Exact Mass
Calculate m/z
223.985223
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)
LPOQZCAOBCMROQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H13AsO2S/c1-7(2,10)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C(CCC(O)=O)[As](C)(=S)C

References

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

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 167.73
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.25
Molar Refractivity 46.75

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Updated at
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