CHEBI:35579 - 3H-indole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3H-indole
ChEBI ID CHEBI:35579
ChEBI ASCII Name 3H-indole
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C8H7N
Net Charge 0
Average Mass 117.14790
Monoisotopic Mass 117.058
InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6H,5H2
InChIKey RKJUIXBNRJVNHR-UHFFFAOYSA-N
SMILES C1C=Nc2ccccc12
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via indole )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3H-indole (CHEBI:35579) is a indole (CHEBI:35581)
3H-indole (CHEBI:35579) is tautomer of 1H-indole (CHEBI:16881)
Incoming 3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole (CHEBI:140439) has functional parent 3H-indole (CHEBI:35579)
1H-indole (CHEBI:16881) is tautomer of 3H-indole (CHEBI:35579)
IUPAC Name
3H-indole
Registry Numbers Types Sources
107688 Beilstein Registry Number Beilstein
2037578 Gmelin Registry Number Gmelin
271-26-1 CAS Registry Number ChemIDplus
Last Modified
12 April 2018