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CHEBI:28220 - 2,6-dihydroxypseudooxynicotine

ChEBI IDCHEBI:28220
ChEBI Name2,6-dihydroxypseudooxynicotine
Stars
ASCII Name1-(6-hydroxy-3-pyridyl)-4-(methylamino)butan-1-one
DefinitionA dihydroxypyridine that is pseudooxynicotine in which the hydrogens at positions 2 and 6 on the pyridine ring are substituted by hydroxy groups.
Secondary ChEBI IDCHEBI:19401
Last Modified7 November 2013
DownloadsMolfile
FormulaC10H14N2O3
Net Charge0
Average Mass210.233
Monoisotopic Mass210.10044
SMILESCNCCCC(=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)
InChIKeyJJJLAXLRPLCXNT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) has functional parent pseudooxynicotine (CHEBI:37753)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) is a aromatic ketone (CHEBI:76224)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) is a dihydroxypyridine (CHEBI:23793)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) is a secondary amino compound (CHEBI:50995)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) is conjugate base of 2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944)
Incoming Relation(s)
2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) is conjugate acid of 2,6-dihydroxypseudooxynicotine (CHEBI:28220)
IUPAC Name 
1-(2,6-dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one
Manual XrefsDatabases
c0469UM-BBD
CPD-113MetaCyc
C15986KEGG COMPOUND
Registry NumbersSources
Reaxys:394128Reaxys