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. Supplier Information ChemicalBook:CB2438898, ChemicalBook:CB6438896, eMolecules:536491, ZINC000000001083 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C9H9N Net Charge 0 Average Mass 131.17450 Monoisotopic Mass 131.07350 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). View more via ChEBI Ontology 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 skatole UniProt Manual Xrefs Databases C00001430 KNApSAcK C08313 KEGG COMPOUND HMDB0000466 HMDB LSM-3655 LINCS Skatole Wikipedia SKATOLE MetaCyc View more database links Registry Numbers Types Sources 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 Types Sources 16656260 PubMed citation Europe PMC 22950976 PubMed citation Europe PMC 24358366 PubMed citation Europe PMC 7487051 PubMed citation Europe PMC Last Modified 24 January 2019