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> Main
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.
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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
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