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CHEBI:58682 - 6-hydroxypseudooxynicotinium(1+)

ChEBI IDCHEBI:58682
ChEBI Name6-hydroxypseudooxynicotinium(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 6-hydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3.
Last Modified16 August 2012
DownloadsMolfile
FormulaC10H15N2O2
Net Charge+1
Average Mass195.242
Monoisotopic Mass195.11280
SMILESC[NH2+]CCCC(=O)c1ccc(O)nc1
InChIInChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)/p+1
InChIKeyUMLOUOBDBGOHHR-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
6-hydroxypseudooxynicotinium(1+) (CHEBI:58682) is a ammonium ion derivative (CHEBI:35274)
6-hydroxypseudooxynicotinium(1+) (CHEBI:58682) is conjugate acid of 6-hydroxypseudooxynicotine (CHEBI:37754)
Incoming Relation(s)
6-hydroxypseudooxynicotine (CHEBI:37754) is conjugate base of 6-hydroxypseudooxynicotinium(1+) (CHEBI:58682)
IUPAC Name 
4-(6-hydroxypyridin-3-yl)-N-methyl-4-oxobutan-1-aminium
UniProt Name  Source
6-hydroxypseudooxynicotineUniProt