Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000027
Common Name15-dimethylarsinoyl pentadecanoic acid
Systematic Name15-dimethylarsinoyl pentadecanoic acid
Synonyms-
Exact Mass
362.1802 (neutral)    Calculate m/z:
FormulaC17H35O3As
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem CID-
InChIKeyRJOXDLOOIZACDO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H35AsO3/c1-18(2,21)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)20/h3-16
H2,1-2H3,(H,19,20)
SMILESC([As](C)(=O)C)CCCCCCCCCCCCCC(=O)O
StatusActive
ReferencesIdentification and Quantification of Arsenolipids Using Reversed-Phase HPLC Coupled Simultaneously to High-Resolution ICPMS and High-Resolution Electrospray MS without Species-Specific Standards. Kenneth O. Amayo, Asta Petursdottir, Chris Newcombe, Helga Gunnlaugsdottir, Andrea Raab, Eva M. Krupp, and Jörg Feldmann. Anal. Chem., 2011, 83 (9), pp 3589–3595. DOI: 10.1021/ac2005873

https://pubs.acs.org/doi/full/10.1021/ac2005873
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
348.31Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.78Molar
Refractivity
90.63