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CHEBI:142138 - 4-hydroxy-indole-3-carbonyl nitrile

ChEBI IDCHEBI:142138
ChEBI Name4-hydroxy-indole-3-carbonyl nitrile
Stars
DefinitionA member of the class of hydroxyindoles that is 1H-indol-4-ol which is substituted by a nitriloacetyl group at the 3 position.
Last Modified5 October 2018
Submitterhdrabkin
DownloadsMolfile
FormulaC10H6N2O2
Net Charge0
Average Mass186.170
Monoisotopic Mass186.04293
SMILESN#CC(=O)c1cnc2cccc(O)c12
InChIInChI=1S/C10H6N2O2/c11-4-9(14)6-5-12-7-2-1-3-8(13)10(6)7/h1-3,5,12-13H
InChIKeyKVUDODPZCDAFRS-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)
4-hydroxy-indole-3-carbonyl nitrile (CHEBI:142138) has role Arabidopsis thaliana metabolite (CHEBI:140602)
4-hydroxy-indole-3-carbonyl nitrile (CHEBI:142138) is a hydroxyindoles (CHEBI:84729)
4-hydroxy-indole-3-carbonyl nitrile (CHEBI:142138) is a α-ketonitrile (CHEBI:51852)
IUPAC Name 
4-hydroxy-1H-indole-3-carbonyl cyanide
Synonyms  Source
4-OH-ICNChEBI
2-(4-hydroxy-1H-indol-3-yl)-2-keto-acetonitrileChEBI
2-(4-hydroxy-1H-indol-3-yl)-2-oxoacetonitrileChEBI
4-hydroxy-α-oxo-1H-indole-3-acetonitrileChEBI
UniProt Name  Source
4-hydroxy-indole-3-carbonyl nitrileUniProt
Citations