Structure Database (LMSD)

Common Name
1-dimethylarsinoyl-pentadecane
Systematic Name
1-dimethylarsinoyl-pentadecane
Synonyms
LM ID
LMFA11000715
Formula
C17H37OAs
Exact Mass
Calculate m/z
332.206036
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mallotus villosus (#30960)
Actinopteri (#186623)
Identification and quantification of arsenolipids using reversed-phase HPLC coupled simultaneously to high-resolution ICPMS and high-resolution electrospray MS without species-specific standards.,
Anal Chem, 2011
Pubmed ID: 21446761

String Representations

InChiKey (Click to copy)
JUBXTBKUGRSJTD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H37AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17H2,1-3H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)[As](C)(=O)C

Other Databases

PubChem CID
102521373
NP-MRD ID(NMR)
NP0086260

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 333.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.71
Molar Refractivity 88.67

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Created at
-
Updated at
24th Mar 2021