Structure Database (LMSD)

Common Name
13-dimethylarsinoyl-tridecanoic acid
Systematic Name
13-dimethylarsinoyl-tridecanoic acid
Synonyms
LM ID
LMFA00000034
Status
Active
Exact Mass
Calculate m/z
334.148916
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)
ATYBQUGNOSSSRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H31AsO3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCC(=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 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 313.71
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.00
Molar Refractivity 81.40

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Created at
-
Updated at
14th Jun 2021