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pseudooxynicotine

PropertiesImage
MNX_IDMNXM97093 Image of MNXM97093
referencechebi:66878
formulaC10H15N2O
global charge1
mol weight179.243
InChIKeySGDIDUFQYHRMPR-UHFFFAOYSA-O
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/p+1
SMILESC[NH2+]CCCC(=O)C1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3 Image of MNXM97093
SMILES (mnx)[CH3:1][NH:11][CH2:6][CH2:3][CH2:5][C:10]([C:9]1=[CH:8][N:12]=[CH:7][CH:2]=[CH:4]1)=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66878
chebi:66878
SGDIDUFQYHRMPR-UHFFFAOYSA-O 		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
SGDIDUFQYHRMPR-UHFFFAOYSA-O 		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
SGDIDUFQYHRMPR-UHFFFAOYSA-N 		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
SGDIDUFQYHRMPR-UHFFFAOYSA-N 		Pseudooxynicotine
4-(Methylamino)-1-(pyridin-3-yl)butan-1-one

envipath:...6d667b9a7eef
envipathM:...6d667b9a7eef
SGDIDUFQYHRMPR-UHFFFAOYSA-N 		compound 0044095

metacyc.compound:CPD-14092
metacycM:CPD-14092
CHEBI:37753
chebi:37753
SGDIDUFQYHRMPR-UHFFFAOYSA-N
SGDIDUFQYHRMPR-UHFFFAOYSA-O 		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