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CHEBI:142139 - indole-3-carbonyl nitrile

ChEBI IDCHEBI:142139
ChEBI Nameindole-3-carbonyl nitrile
Stars
DefinitionA member of the class of indoles that is 1H-indole which is substituted by a nitriloacetyl group at the 3 position.
Last Modified5 October 2018
Submitterhdrabkin
DownloadsMolfile
FormulaC10H6N2O
Net Charge0
Average Mass170.171
Monoisotopic Mass170.04801
SMILESN#CC(=O)c1cnc2ccccc12
InChIInChI=1S/C10H6N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H
InChIKeyYWKCWNQLRJKTBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - PubMed (26352477)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
indole-3-carbonyl nitrile (CHEBI:142139) has role Arabidopsis thaliana metabolite (CHEBI:140602)
indole-3-carbonyl nitrile (CHEBI:142139) is a indoles (CHEBI:24828)
indole-3-carbonyl nitrile (CHEBI:142139) is a α-ketonitrile (CHEBI:51852)
IUPAC Name 
1H-indole-3-carbonyl cyanide
Synonyms  Source
ICNChEBI
1H-indol-3-yl(oxo)acetonitrileChEBI
indolyl-3-carbonyl nitrileChEBI
indole-3-carbonyl nitrileChEBI
UniProt Name  Source
indole-3-carbonyl nitrileUniProt
Registry NumbersSources
Reaxys:4988806Reaxys
Citations