Structure Database (LMSD)

Common Name
4-dimethylarsenobutanoic acid
Systematic Name
4-dimethylarsenoyl butanoic acid
Synonyms
  • DMAB
LM ID
LMFA00000042
Formula
C6H13O3As
Exact Mass
Calculate m/z
208.008066
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]

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)
YGQBCYUQVJWELM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H13AsO3/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](=O)(C)C

Other Databases

PubChem CID
15667157

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 158.01
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 1.49
Molar Refractivity 39.85

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