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
C10H21O3As
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

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

CHEBI ID
184808
PubChem CID
102203977

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

Admin

Created at
-
Updated at
-