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CHEBI:189824 - 6-hydroxy-pseudooxy-nornicotine

ChEBI IDCHEBI:189824
ChEBI Name6-hydroxy-pseudooxy-nornicotine
Stars
DefinitionA hydroxypyridine that is pyridine substituted by 4-aminobutanoyl and hydroxy groups at positions 3 and 6, respectively. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7.
Last Modified17 February 2022
SubmitterAdnan
DownloadsMolfile
FormulaC9H12N2O2
Net Charge0
Average Mass180.207
Monoisotopic Mass180.08988
SMILESNCCCC(=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)
InChIKeySMMJSMSUOYDEIU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Shinella sp. HZN7 (ncbitaxon:879274) - PubMed (27568381)
Arthrobacter sp. (ncbitaxon:1667) - PubMed (33131868) Strain: NOR5
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6-hydroxy-pseudooxy-nornicotine (CHEBI:189824) has role bacterial xenobiotic metabolite (CHEBI:76976)
6-hydroxy-pseudooxy-nornicotine (CHEBI:189824) is a aromatic ketone (CHEBI:76224)
6-hydroxy-pseudooxy-nornicotine (CHEBI:189824) is a hydroxypyridine (CHEBI:24745)
6-hydroxy-pseudooxy-nornicotine (CHEBI:189824) is a primary amino compound (CHEBI:50994)
6-hydroxy-pseudooxy-nornicotine (CHEBI:189824) is conjugate base of 6-hydroxy-pseudooxy-nornicotinium (CHEBI:189663)
Incoming Relation(s)
6-hydroxy-pseudooxy-nornicotinium (CHEBI:189663) is conjugate acid of 6-hydroxy-pseudooxy-nornicotine (CHEBI:189824)
IUPAC Name 
4-amino-1-(6-hydroxypyridin-3-yl)butan-1-one
Synonyms  Source
3-(4-aminobutanoyl)pyridine-6-olChEBI
6-hydroxypseudooxynornicotineChEBI
6-OH-pseudooxy-nornicotineChEBI
6HPONorChEBI
Citations