Structure Database (LMSD)
Common Name
16-dimethylarsinoyl-9Z-hexadecenoic acid
Systematic Name
16-dimethylarsinoyl-9Z-hexadecenoic acid
Synonyms
LM ID
LMFA00000032
Formula
C18H35O3As
Exact Mass
Calculate m/z
374.180216
Status
Active
3D model of 16-dimethylarsinoyl-9Z-hexadecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Reference
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs. Veronika Sele, Jens J. Sloth, Anne-Katrine Lundebye, Erik H. Larsen, Marc H. G. Berntssen, Heidi Amlund. Food Chemistry. Volume 133, Issue 3, 1 August 2012, Pages 618-630. DOI: /10.1016/j.foodchem.2012.02.004
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
String Representations
InChiKey (Click to copy)
FZOQEVBDCNSQIJ-HYXAFXHYSA-N
InChi (Click to copy)
InChI=1S/C18H35AsO3/c1-19(2,22)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5H,4,6-17H2,1-2H3,(H,20,21)/b5-3-
SMILES (Click to copy)
C(CCCCC/C=C\CCCCCCCC(O)=O)[As](C)(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
362.97
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.94
Molar Refractivity
95.16
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Updated at
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