Structure Database (LMSD)

Common Name
2-dimethylarsinoyl-acetic acid
Systematic Name
2-dimethylarsinoyl-ethanoic acid
Synonyms
LM ID
LMFA00000035
Formula
C4H9O3As
Exact Mass
Calculate m/z
179.976766
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mustelus manazo (#79736)
Chondrichthyes (#7777)
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs.,
Food Chemistry, 2012

String Representations

InChiKey (Click to copy)
WDBNOSZAJMWOEF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H9AsO3/c1-5(2,8)3-4(6)7/h3H2,1-2H3,(H,6,7)
SMILES (Click to copy)
C(C(O)=O)[As](C)(=O)C

Other Databases

PubChem CID
11148070

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 123.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 0.71
Molar Refractivity 30.61

Admin

Created at
-
Updated at
27th May 2021