Structure Database (LMSD)

Common Name
17-trimethylarsenylheptadecan-1-ol
Systematic Name
17-trimethylarsenylheptadecan-1-ol
Synonyms
LM ID
LMFA00000043
Formula
C20H44OAs
Exact Mass
Calculate m/z
375.260811
Status
Active
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
Saccharina latissima (#309358)
Phaeophyceae (#2870)
Fat-soluble arsenic - new lipids with a sting in their tail,
Lipid Tech, 2016

String Representations

InChiKey (Click to copy)
ITQUSLJANGKIFT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H44AsO/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22/h22H,4-20H2,1-3H3/q+1
SMILES (Click to copy)
C(CCO)CCCCCCCCCCCCCC[As+](C)(C)C

Other Databases

PubChem CID
132564253

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 386.59
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.45
Molar Refractivity 104.98

Admin

Created at
4th Oct 2019
Updated at
27th May 2021