Structure Database (LMSD)

Common Name
8-dimethylarsinoyl-octanoic acid
Systematic Name
8-dimethylarsinoyl-octanoic acid
Synonyms
LM ID
LMFA00000036
Formula
C10H21O3As
Exact Mass
Calculate m/z
264.070666
Status
Curated
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)
Synthesis of two new arsenolipids and their identification in fish.,
Eur. J. Lipid Sci. Technol., 2015

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

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

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Updated at
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