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pseudooxynicotine

Properties

Image

Occurences in reactions

MNX_ID

MNXM97093

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₁₀H₁₅N₂O

charge

mass

179.11789

reference

InChIKey

SGDIDUFQYHRMPR-UHFFFAOYSA-O

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/p+1

SMILES

C[NH2+]CCCC(=O)c1cccnc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66878 chebi:66878	pseudooxynicotine 4-(methylammonio)-1-(pyridin-3-yl)butan-1-one N-methyl-4-oxo-4-(pyridin-3-yl)butan-1-aminium pseudooxynicotine(1+) pseudooxynicotinium cation pseudooxynicotinium(1+)
seed.compound:cpd24173 seedM:cpd24173	1-butanone, 4-(methylamino)-1-(3-pyridinyl)- 4-(Methylamino)-1-(pyridin-3-yl)butan-1-one 4-(methylamino)-1-(3-pyridyl)-1-butanone 4-(methylamino)-1-(pyridin-3-yl)butan-1-one Pseudooxynicotine pseudooxynicotine
seed.compound:cpd28760 seedM:cpd28760	1-butanone, 4-(methylamino)-1-(3-pyridinyl)- 4-(methylamino)-1-(3-pyridyl)-1-butanone pseudooxynicotine
hmdb:HMDB0001240	Pseudooxynicotine 4-(Methylamino)-1-(3-pyridinyl)-1-butanone 4-(Methylamino)-1-(3-pyridyl)-1-butanone 4-(Methylamino)-1-(pyridin-3-yl)butan-1-one 4-(methylamino)-1-(pyridin-3-yl)butan-1-one pseudooxynicotine
kegg.compound:C20361 keggC:C20361	Pseudooxynicotine 4-(Methylamino)-1-(pyridin-3-yl)butan-1-one
envipath:...6d667b9a7eef envipathM:...6d667b9a7eef	compound 0044095
metacyc.compound:CPD-14092 metacycM:CPD-14092	pseudooxynicotine 1-butanone, 4-(methylamino)-1-(3-pyridinyl)- 4-(methylamino)-1-(3-pyridyl)-1-butanone 4-(methylamino)-1-(pyridin-3-yl)butan-1-one
CHEBI:37753 chebi:37753	pseudooxynicotine 4-(methylamino)-1-(3-pyridinyl)-1-butanone 4-(methylamino)-1-(3-pyridyl)-1-butanone 4-(methylamino)-1-(pyridin-3-yl)butan-1-one
hmdb:HMDB01240 keggC:M_C20361 seedM:M_cpd24173 seedM:M_cpd28760	secondary/obsolete/fantasy identifier