Structure Database (LMSD)

Common Name
19-dimethylarsinoyl-nonadecanoic acid
Systematic Name
19-dimethylarsinoyl-nonadecanoic acid
Synonyms
LM ID
LMFA00000039
Status
Active
Exact Mass
Calculate m/z
418.242816
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)
DQMMGFZOXXMBBB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H43AsO3/c1-22(2,25)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(23)24/h3-20H2,1-2H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(=O)O)[As](C)(=O)C

References

Reference
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs. Veronika Sele, Jens J. Sloth, Anne-Katrine Lundebye, Erik H. Larsen, Marc H. G. Berntssen, Heidi Amlund. Food Chemistry. Volume 133, Issue 3, 1 August 2012, Pages 618-630. DOI: /10.1016/j.foodchem.2012.02.004


https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gadus morhua (#8049)
Actinopteri (#186623)
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs.,
Food Chemistry, 2012

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 417.51
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.34
Molar Refractivity 109.10

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Created at
-
Updated at
27th May 2021