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

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The Swiss Initiative in Systems Biology

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phenylacetonitrile

Properties

Image

Occurences in reactions

MNX_ID

MNXM2709

Image of MNXM2709

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	1

formula

C₈H₇N

charge

0

mass

117.05785

reference

InChIKey

SUSQOBVLVYHIEX-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

SMILES

N#CCc1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:25979 chebi:25979	phenylacetonitrile (cyanomethyl)benzene 2-phenylacetonitrile Benzyl cyanide alpha-cyanotoluene alpha-tolunitrile benzeneacetonitrile benzyl cyanide benzyl nitrile
hmdb:HMDB0034171	Benzeneacetonitrile (Cyanomethyl)benzene .omega.-cyanotoluene 2-Phenylacetonitrile 2-phenylacetonitrile Acetic acid, phenyl-nitrile Benzeneacetonitrile, 9ci Benzyl cyanide Benzyl nitrile Benzylkyanid Benzylnitrile Cyanophenylmethane Enzylcyanide Laquo omegaraquo -cyanotoluene Omega-cyanotoluene Phenacetonitrile Phenyl acetyl nitrile Phenyl-acetonitrile Phenylacetonitrile Phenylacetonitrile, liquid a-Cyanotoluene a-Tolunitrile alpha -Cyanotoluene alpha -Tolunitrile alpha-Cyano-toluene alpha-Cyanotoluene alpha-Tolunitrile alpha-cyanotoluene alpha-tolunitrile phenylacetonitrile
seed.compound:cpd14795 seedM:cpd14795	Benzyl cyanide Phenylacetonitrile phenylacetonitrile
envipath:...65b6f71eb574 envipathM:...65b6f71eb574	Phenylacetonitrile
kegg.compound:C16074 keggC:C16074	Phenylacetonitrile Benzyl cyanide
sabiork.compound:20897 sabiorkM:20897	Z-Phenylacetonitrile Phenylacetonitrile
metacyc.compound:PHENYLACETONITRILE metacycM:PHENYLACETONITRILE	phenylacetonitrile
hmdb:HMDB34171 keggC:M_C16074 seedM:M_cpd14795	secondary/obsolete/fantasy identifier