Structure Database (LMSD)
Common Name
1-dimethylarsinoyl-(2Z,5Z, 8Z,11Z,14Z,17Z)-heneicosahexaene
Systematic Name
1-dimethylarsinoyl-(2Z,5Z, 8Z,11Z,14Z,17Z)-heneicosahexaene
Synonyms
LM ID
LMFA11000714
Formula
C23H37OAs
Exact Mass
Calculate m/z
404.206036
Status
Active
3D model of 1-dimethylarsinoyl-(2Z,5Z, 8Z,11Z,14Z,17Z)-heneicosahexaene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
Anal Chem, 2011
Pubmed ID:
21446761
String Representations
InChiKey (Click to copy)
NSAFCTHJIGCNLN-WSDBEMKQSA-N
InChi (Click to copy)
InChI=1S/C23H37AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25/h6-7,9-10,12-13,15-16,18-19,21-22H,4-5,8,11,14,17,20,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
SMILES (Click to copy)
C([As](C)(=O)C)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
421.33
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
7.71
Molar Refractivity
115.81
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Updated at
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