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CHEBI:66944 - 2,6-dihydroxypseudooxynicotinium(1+)

ChEBI IDCHEBI:66944
ChEBI Name2,6-dihydroxypseudooxynicotinium(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 2,6-dihydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3.
Last Modified10 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC10H15N2O3
Net Charge+1
Average Mass211.241
Monoisotopic Mass211.10772
SMILESC[NH2+]CCCC(=O)c1ccc(O)nc1O
InChIInChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)/p+1
InChIKeyJJJLAXLRPLCXNT-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) has functional parent pseudooxynicotinium(1+) (CHEBI:66878)
2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) is a ammonium ion derivative (CHEBI:35274)
2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) is a organic cation (CHEBI:25697)
2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) is conjugate acid of 2,6-dihydroxypseudooxynicotine (CHEBI:28220)
Incoming Relation(s)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) is conjugate base of 2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944)
IUPAC Name 
4-(2,6-dihydroxypyridin-3-yl)-N-methyl-4-oxobutan-1-aminium
UniProt Name  Source
2,6-dihydroxypseudooxynicotineUniProt
Manual XrefsDatabases
CPD-113MetaCyc