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

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beta-aminopropionitrile

	Properties	Image
MNX_ID	MNXM4482
reference	chebi:27413
formula	C₃H₆N₂
global charge	0
mol weight	70.095
InChIKey	AGSPXMVUFBBBMO-UHFFFAOYSA-N
InChI	InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
SMILES	N#CCCN

MNX internals

InChI (mnx)	InChI=1/C3H6N2/c4-2-1-3-5/h1-2,4H2
SMILES (mnx)	[CH2:1]([CH2:2][NH2:4])[C:3]#[N:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27413 chebi:27413 AGSPXMVUFBBBMO-UHFFFAOYSA-N	beta-aminopropionitrile 2-cyanoethylamine 3-Aminopropiononitrile 3-aminopropanenitrile 3-aminopropionitrile BAPN H2NCH2CH2CN aminopropionitrile beta-Aminopropionitrile beta-alaninenitrile beta-aminoethyl cyanide beta-cyanoethylamine
seed.compound:cpd03377 seedM:cpd03377 AGSPXMVUFBBBMO-UHFFFAOYSA-O	3-Aminopropiononitrile 2-cyanoethylamine 3-amino-propatenitrile 3-amino-propionitrile, 3-aminopropanenitrile 3-aminopropionitrile aminopropionitrile beta-Aminopropionitrile beta-alaminenitrile beta-alaninenitrile beta-aminopropionitrile beta-cyanoethylamine
vmhM:3apntrl vmhmetabolite:3apntrl AGSPXMVUFBBBMO-UHFFFAOYSA-N	3-Aminopropiononitrile 3-aminopropanenitrile
kegg.compound:C05670 keggC:C05670 AGSPXMVUFBBBMO-UHFFFAOYSA-N	3-Aminopropiononitrile beta-Aminopropionitrile
hmdb:HMDB0004101 AGSPXMVUFBBBMO-UHFFFAOYSA-N	Beta-Aminopropionitrile 2-Cyanoethylamine 3-Aminopropanenitrile 3-Aminopropionitrile 3-Aminopropiononitrile 3-aminopropanenitrile Aminopropionitrile BAPN H2NCH2CH2CN b-Alaminenitrile b-Alaninenitrile b-Aminoethyl cyanide b-Aminopropionitrile b-Cyanoethylamine beta Aminopropionitrile beta aminopropionitrile beta-Alaminenitrile beta-Alaninenitrile beta-Aminoethyl cyanide beta-Aminopropionitrile beta-Cyanoethylamine beta-alaninenitrile beta-aminoethyl cyanide beta-aminopropionitrile beta-cyanoethylamine
metacyc.compound:BETA-AMINOPROPIONITRILE metacycM:BETA-AMINOPROPIONITRILE AGSPXMVUFBBBMO-UHFFFAOYSA-O	beta-aminopropionitrile 2-cyanoethylamine 3-amino-propatenitrile 3-amino-propionitrile, 3-aminopropanenitrile 3-aminopropionitrile aminopropionitrile beta-alaminenitrile beta-alaninenitrile beta-cyanoethylamine
CHEBI:91086 chebi:91086 AGSPXMVUFBBBMO-UHFFFAOYSA-O	beta-ammoniopropionitrile 2-cyanoethan-1-aminium beta-azaniumylpropionitrile
hmdb:HMDB04101 chebi:10351 chebi:22831 keggC:M_C05670 seedM:M_cpd03377 vmhM:M_3apntrl	secondary/obsolete/fantasy identifier