Structure Database (LMSD)

Common Name
1-dimethylarsinoyl-octadecane
Systematic Name
1-dimethylarsinoyl-octadecane
Synonyms
LM ID
LMFA11000718
Formula
C20H43OAs
Exact Mass
Calculate m/z
374.252986
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

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

String Representations

InChiKey (Click to copy)
FQKWIWFKMKXREW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H43AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h4-20H2,1-3H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)[As](C)(=O)C

Other Databases

PubChem CID
132605459

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 385.27
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.88
Molar Refractivity 102.52

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Updated at
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