Structure Database (LMSD)

O + N O
Common Name
Decanoylcholine
Systematic Name
[2-(decanoyloxy)ethyl]trimethylazanium
Synonyms
LM ID
LMFA07010826
Formula
C15H32NO2
Exact Mass
Calculate m/z
258.243304
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

String Representations

InChiKey (Click to copy)
VZSPWUMYXMBAJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5-14H2,1-4H3/q+1
SMILES (Click to copy)
[N+](C)(C)(C)CCOC(=O)CCCCCCCCC

References

Other Databases

HMDB ID
HMDB0013228
CHEBI ID
74107
PubChem CID
9974373

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.32
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.95
Molar Refractivity 77.45

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Created at
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Updated at
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