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CHEBI:37753 - pseudooxynicotine

ChEBI IDCHEBI:37753
ChEBI Namepseudooxynicotine
Stars
DefinitionAn aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group.
Last Modified2 August 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H14N2O
Net Charge0
Average Mass178.235
Monoisotopic Mass178.11061
SMILESCNCCCC(=O)c1cccnc1
InChIInChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3
InChIKeySGDIDUFQYHRMPR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pseudooxynicotine (CHEBI:37753) is a aminoacylpyridine (CHEBI:38208)
pseudooxynicotine (CHEBI:37753) is a pyridine alkaloid (CHEBI:26416)
pseudooxynicotine (CHEBI:37753) is conjugate base of pseudooxynicotinium(1+) (CHEBI:66878)
Incoming Relation(s)
2,6-dihydroxypseudooxynicotine (CHEBI:28220) has functional parent pseudooxynicotine (CHEBI:37753)
6-hydroxypseudooxynicotine (CHEBI:37754) has functional parent pseudooxynicotine (CHEBI:37753)
pseudooxynicotinium(1+) (CHEBI:66878) is conjugate acid of pseudooxynicotine (CHEBI:37753)
IUPAC Name 
4-(methylamino)-1-(pyridin-3-yl)butan-1-one
Synonyms  Source
4-(methylamino)-1-(3-pyridyl)-1-butanoneHMDB
4-(methylamino)-1-(3-pyridinyl)-1-butanoneHMDB
Manual XrefsDatabases
HMDB0001240HMDB
CPD-14092MetaCyc
Registry NumbersSources
Reaxys:132948Reaxys
CAS:2055-23-4ChemIDplus
Citations