CHEBI:37753 - pseudooxynicotine

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ChEBI Name pseudooxynicotine
ChEBI ID CHEBI:37753
Definition An aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H14N2O
Net Charge 0
Average Mass 178.23104
Monoisotopic Mass 178.11061
InChI InChI=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
InChIKey SGDIDUFQYHRMPR-UHFFFAOYSA-N
SMILES CNCCCC(=O)c1cccnc1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
4-(methylamino)-1-(3-pyridinyl)-1-butanone HMDB
4-(methylamino)-1-(3-pyridyl)-1-butanone HMDB
Manual Xrefs Databases
CPD-14092 MetaCyc
HMDB0001240 HMDB
View more database links
Registry Numbers Types Sources
132948 Reaxys Registry Number Reaxys
2055-23-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17464070 PubMed citation Europe PMC
18203859 PubMed citation Europe PMC
19060159 PubMed citation Europe PMC
21637938 PubMed citation Europe PMC
22267672 PubMed citation Europe PMC
8512249 PubMed citation Europe PMC
Last Modified
02 August 2012