CHEBI:9171 - skatole

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ChEBI Name skatole
ChEBI ID CHEBI:9171
Definition A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H9N
Net Charge 0
Average Mass 131.17450
Monoisotopic Mass 131.073
InChI InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChIKey ZFRKQXVRDFCRJG-UHFFFAOYSA-N
SMILES Cc1c[nH]c2ccccc12
Roles Classification
Biological Role(s): mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 Sources
3-methyl-4,5-benzopyrrole ChemIDplus
3-Methylindole KEGG COMPOUND
β-methylindole NIST Chemistry WebBook
Skatol ChemIDplus
Skatole KEGG COMPOUND
Database Links Databases
C00001430 KNApSAcK
C08313 KEGG COMPOUND
HMDB0000466 HMDB
LSM-3655 LINCS
Skatole Wikipedia
SKATOLE MetaCyc
View more database links
Registry Numbers Types Sources
111296 Beilstein Registry Number Beilstein
111296 Reaxys Registry Number Reaxys
396961 Gmelin Registry Number Gmelin
83-34-1 CAS Registry Number KEGG COMPOUND
83-34-1 CAS Registry Number NIST Chemistry WebBook
83-34-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16656260 PubMed citation Europe PMC
22950976 PubMed citation Europe PMC
24358366 PubMed citation Europe PMC
7487051 PubMed citation Europe PMC
Last Modified
25 February 2016