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

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acrylonitrile

	Properties	Image
MNX_ID	MNXM4430
reference	chebi:28217
formula	C₃H₃N
global charge	0
mol weight	53.064
InChIKey	NLHHRLWOUZZQLW-UHFFFAOYSA-N
InChI	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
SMILES	C=CC#N

MNX internals

InChI (mnx)	InChI=1/C3H3N/c1-2-3-4/h2H,1H2
SMILES (mnx)	[CH2:1]=[CH:2][C:3]#[N:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28217 chebi:28217 NLHHRLWOUZZQLW-UHFFFAOYSA-N	acrylonitrile 2-propenenitrile Acrylnitril Acrylonitrile Acrylsaeurenitril Propenenitrile Vinyl cyanide cyanure de vinyle nitrile acrylique
envipath:...9618bb1d6680 envipathM:...9618bb1d6680 NLHHRLWOUZZQLW-UHFFFAOYSA-N	Acrylonitrile
hmdb:HMDB0247972 NLHHRLWOUZZQLW-UHFFFAOYSA-N	Acrylonitrile 2-Propenenitrile Acrylnitril Acrylsaeurenitril Cyanide, vinyl Cyanure de vinyle Nitrile acrylique Propenenitrile Vinyl cyanide acrylonitrile prop-2-enenitrile
kegg.compound:C01998 keggC:C01998 NLHHRLWOUZZQLW-UHFFFAOYSA-N	Acrylonitrile Propenenitrile Vinyl cyanide
vmhM:vnlcnd vmhmetabolite:vnlcnd NLHHRLWOUZZQLW-UHFFFAOYSA-N	Vinyl cyanide
seed.compound:cpd01368 seedM:cpd01368 NLHHRLWOUZZQLW-UHFFFAOYSA-N	Vinyl cyanide Acrylonitrile Propenenitrile acrylonitrile
metacyc.compound:ACRYLONITRILE metacycM:ACRYLONITRILE NLHHRLWOUZZQLW-UHFFFAOYSA-N	acrylonitrile
chebi:22217 chebi:2442 keggC:M_C01998 seedM:M_cpd01368 vmhM:M_vnlcnd	secondary/obsolete/fantasy identifier