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CHEBI:9171 - skatole

ChEBI IDCHEBI:9171
ChEBI Nameskatole
Stars
DefinitionA methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract.
Last Modified24 January 2019
DownloadsMolfile
FormulaC9H9N
Net Charge0
Average Mass131.178
Monoisotopic Mass131.07350
SMILESCc1cnc2ccccc12
InChIInChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChIKeyZFRKQXVRDFCRJG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
skatole (CHEBI:9171) has role human metabolite (CHEBI:77746)
skatole (CHEBI:9171) has role mammalian metabolite (CHEBI:75768)
skatole (CHEBI:9171) is a methylindole (CHEBI:38460)
IUPAC Name 
3-methyl-1H-indole
Synonyms  Source
3-methyl-4,5-benzopyrroleChemIDplus
3-MethylindoleKEGG COMPOUND
SkatolChemIDplus
SkatoleKEGG COMPOUND
β-methylindoleNIST Chemistry WebBook
UniProt Name  Source
skatoleUniProt
Manual XrefsDatabases
C00001430KNApSAcK
C08313KEGG COMPOUND
HMDB0000466HMDB
LSM-3655LINCS
SkatoleWikipedia
SKATOLEMetaCyc
Registry NumbersSources
Reaxys:111296Reaxys
Gmelin:396961Gmelin
CAS:83-34-1ChemIDplus
CAS:83-34-1NIST Chemistry WebBook
CAS:83-34-1KEGG COMPOUND
Citations