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CHEBI:22990 - camalexin

ChEBI IDCHEBI:22990
ChEBI Namecamalexin
Stars
DefinitionAn indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group.
Last Modified18 April 2018
DownloadsMolfile
FormulaC11H8N2S
Net Charge0
Average Mass200.266
Monoisotopic Mass200.04082
SMILESc1ccc2c(-c3nccs3)cnc2c1
InChIInChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
InChIKeyIYODIJVWGPRBGQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
camalexin (CHEBI:22990) has role metabolite (CHEBI:25212)
camalexin (CHEBI:22990) is a 1,3-thiazoles (CHEBI:38418)
camalexin (CHEBI:22990) is a indole phytoalexin (CHEBI:24797)
Incoming Relation(s)
6-methoxycamalexin (CHEBI:136941) has functional parent camalexin (CHEBI:22990)
dihydrocamalexic acid (CHEBI:47794) has functional parent camalexin (CHEBI:22990)
IUPAC Name 
3-(1,3-thiazol-2-yl)-1H-indole
Synonym  Source
3-thiazol-2'-yl-indoleMetaCyc
UniProt Name  Source
camalexinUniProt
Manual XrefsDatabases
THIAZOL-YL-INDOLEMetaCyc
Registry NumbersSources
Reaxys:4310041Reaxys
Citations