MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4-oxo-4-(pyridin-3-yl)butanal

	Properties	Image
MNX_ID	MNXM10233
reference	chebi:66879
formula	C₉H₉NO₂
global charge	0
mol weight	163.176
InChIKey	CFONOJVUTZAMCB-UHFFFAOYSA-N
InChI	InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2
SMILES	O=CCCC(=O)C1=CN=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([C:9]([CH2:4][CH2:2][CH:6]=[O:11])=[O:12])=[CH:7][N:10]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66879 chebi:66879 CFONOJVUTZAMCB-UHFFFAOYSA-N	4-oxo-4-(pyridin-3-yl)butanal 3-succinoylsemialdehyde-pyridine 4-(3-pyridyl)-4-oxobutanal 4-(3-pyridyl)-4-oxobutyraldehyde 4-oxo-1-(3-pyridyl)-1-butanone 4-oxo-4-(3-pyridinebutanal) 4-oxo-4-(3-pyridyl)butanal 4-oxo-4-pyridin-3-yl-butyraldehyde gamma-Oxo-3-pyridinebutanal gamma-oxo-3-pyridinebutanal
vmhM:M01025 vmhmetabolite:M01025 CFONOJVUTZAMCB-UHFFFAOYSA-N	4-Oxo-1-(3-Pyridyl)-1-Butanone 4-oxo-4-(pyridin-3-yl)butanal
seed.compound:cpd20821 seedM:cpd20821 CFONOJVUTZAMCB-UHFFFAOYSA-N	4-Oxo-1-(3-pyridyl)-1-butanone 3-Succinoylsemialdehyde-pyridine 3-succinoylsemialdehyde-pyridine 4-Oxo-4-(pyridin-3-yl)butanal 4-oxo-4-(pyridin-3-yl)butanal gamma-Oxo-3-pyridinebutanal
hmdb:HMDB0062406 CFONOJVUTZAMCB-UHFFFAOYSA-N	4-Oxo-1-(3-pyridyl)-1-butanone 3-Succinoylsemialdehyde-pyridine 4-(3-Pyridyl)-4-oxobutanal 4-(3-Pyridyl)-4-oxobutyraldehyde 4-oxo-1-(3-Pyridyl)-1-butanone 4-oxo-4-(3-Pyridinebutanal) 4-oxo-4-(3-Pyridyl)butanal 4-oxo-4-(Pyridin-3-yl)butanal 4-oxo-4-(pyridin-3-yl)butanal 4-oxo-4-Pyridin-3-yl-butyraldehyde g-oxo-3-Pyridinebutanal gamma-oxo-3-Pyridinebutanal gamma-oxo-3-pyridinebutanal
kegg.compound:C19567 keggC:C19567 CFONOJVUTZAMCB-UHFFFAOYSA-N	4-Oxo-1-(3-pyridyl)-1-butanone 3-Succinoylsemialdehyde-pyridine 4-Oxo-4-(pyridin-3-yl)butanal gamma-Oxo-3-pyridinebutanal
metacyc.compound:CPD-14100 metacycM:CPD-14100 CFONOJVUTZAMCB-UHFFFAOYSA-N	4-oxo-4-(pyridin-3-yl)butanal 3-succinylsemialdehyde-pyridine
envipath:...b8bf5b225c1a envipathM:...b8bf5b225c1a CFONOJVUTZAMCB-UHFFFAOYSA-N	compound 0044108
hmdb:HMDB62406 keggC:M_C19567 seedM:M_cpd20821 vmhM:M_M01025	secondary/obsolete/fantasy identifier