Structure Database (LMSD)

Common Name
8-dimethylarsinoyl-octanoic acid
Systematic Name
8-dimethylarsinoyl-octanoic acid
Synonyms
LM ID
LMFA00000036
Status
Active
Exact Mass
Calculate m/z
264.070666
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)
OGWMGQJBCMJLQC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H21AsO3/c1-11(2,14)9-7-5-3-4-6-8-10(12)13/h3-9H2,1-2H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCCC(O)=O)[As](C)(=O)C

References

Reference
Synthesis of two new arsenolipids and their identification in fish. Uriel Arroyo-Abad, Zehan Hu, Matthias Findeisen, Dietmar Pfeifer, Jurgen Mattusch, Thorsten Reemtsma and Christian Piechotta. European Journal of Lipid Science and Technology. Volume 118, Issue 3, May 2015. DOI:10.1002/ejlt.201400502.

https://onlinelibrary.wiley.com/doi/full/10.1002/ejlt.201400502

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gadus morhua (#8049)
Actinopteri (#186623)
Synthesis of two new arsenolipids and their identification in fish.,
Eur. J. Lipid Sci. Technol., 2015

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 227.21
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.05
Molar Refractivity 58.31

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Updated at
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