EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189663 - 6-hydroxy-pseudooxy-nornicotinium

ChEBI IDCHEBI:189663
ChEBI Name6-hydroxy-pseudooxy-nornicotinium
Stars
DefinitionA primary ammonium ion that is the conjugate acid of 6-hydroxy-pseudooxy-nornicotine resulting from the protonation of the primary amino group; major microspecies at pH 7.3.
Last Modified17 February 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H13N2O2
Net Charge+1
Average Mass181.215
Monoisotopic Mass181.09715
SMILES[NH3+]CCCC(=O)c1ccc(O)nc1
InChIInChI=1S/C9H12N2O2/c10-5-1-2-8(12)7-3-4-9(13)11-6-7/h3-4,6H,1-2,5,10H2,(H,11,13)/p+1
InChIKeySMMJSMSUOYDEIU-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
6-hydroxy-pseudooxy-nornicotinium (CHEBI:189663) is a primary ammonium ion (CHEBI:65296)
6-hydroxy-pseudooxy-nornicotinium (CHEBI:189663) is conjugate acid of 6-hydroxy-pseudooxy-nornicotine (CHEBI:189824)
Incoming Relation(s)
6-hydroxy-pseudooxy-nornicotine (CHEBI:189824) is conjugate base of 6-hydroxy-pseudooxy-nornicotinium (CHEBI:189663)
IUPAC Name 
4-(6-hydroxypyridin-3-yl)-4-oxobutan-1-aminium
Synonyms  Source
6-hydroxypseudooxynornicotiniumChEBI
6HPONor(1+)SUBMITTER
UniProt Name  Source
6-hydroxypseudooxynornicotineUniProt
Citations