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

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butanenitrile

	Properties	Image
MNX_ID	MNXM16414
reference	chebi:51937
formula	C₄H₇N
global charge	0
mol weight	69.107
InChIKey	KVNRLNFWIYMESJ-UHFFFAOYSA-N
InChI	InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
SMILES	CCCC#N

MNX internals

InChI (mnx)	InChI=1/C4H7N/c1-2-3-4-5/h2-3H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][C:4]#[N:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:51937 chebi:51937 KVNRLNFWIYMESJ-UHFFFAOYSA-N	butanenitrile 1-Cyanopropane Butyric acid nitrile butyronitrile n-Butanitrile n-butyronitrile n-propyl cyanide propyl cyanide
seed.compound:cpd23354 seedM:cpd23354 KVNRLNFWIYMESJ-UHFFFAOYSA-N	1-cyanopropane butyronitrile n-butyronitrile n-propyl cyanide propyl cyanide
hmdb:HMDB0249482 KVNRLNFWIYMESJ-UHFFFAOYSA-N	Butyronitrile 1-Cyanopropane Butyrate nitrile Butyric acid nitrile N-Butanitrile N-Butyronitrile N-Propyl cyanide Propyl cyanide butanenitrile butyronitrile
sabiork.compound:20770 sabiorkM:20770 KVNRLNFWIYMESJ-UHFFFAOYSA-N	n-Butyronitrile
metacyc.compound:CPD-12327 metacycM:CPD-12327 KVNRLNFWIYMESJ-UHFFFAOYSA-N	n-butyronitrile 1-cyanopropane butyronitrile n-propyl cyanide propyl cyanide
seedM:M_cpd23354	secondary/obsolete/fantasy identifier