Structure Database (LMSD)

O + N O
Common Name
Undecanoylcholine
Systematic Name
trimethyl[2-(undecanoyloxy)ethyl]azanium
Synonyms
LM ID
LMFA07011030
Formula
C16H34NO2
Exact Mass
Calculate m/z
272.258954
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)
WAKLSXXFSACOOZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H34NO2/c1-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17(2,3)4/h5-15H2,1-4H3/q+1
SMILES (Click to copy)
[N+](C)(C)(C)CCOC(=O)CCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0013322
CHEBI ID
165638
PubChem CID
53481666

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 312.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.34
Molar Refractivity 82.07

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Created at
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Updated at
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