Structure Database (LMSD)

Common Name
3-thiodimethylarsenopropanoic acid
Systematic Name
3-thio-3-dimethylarsenoyl propanoic acid
Synonyms
  • thio-DMAP
LM ID
LMFA00000040
Formula
C5H11O2SAs
Exact Mass
Calculate m/z
209.969573
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Thia fatty acids [FA0113]

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

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

Other Databases

PubChem CID
86091218

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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