Structure Database (LMSD)

Common Name
19-dimethylarsinoyl-nonadecanoic acid
Systematic Name
19-dimethylarsinoyl-nonadecanoic acid
Synonyms
LM ID
LMFA00000039
Formula
C21H43O3As
Exact Mass
Calculate m/z
418.242816
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
Gadus morhua (#8049)
Actinopteri (#186623)
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs.,
Food Chemistry, 2012

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

Other Databases

CHEBI ID
185432
PubChem CID
101891710

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

Admin

Created at
-
Updated at
27th May 2021