CHEBI:16881 - 1H-indole

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 1H-indole
ChEBI ID CHEBI:16881
ChEBI ASCII Name 1H-indole
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5900, CHEBI:43537, CHEBI:14444, CHEBI:24794
Supplier Information
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Formulae C8H7N
C8H7N
Net Charge 0
Average Mass 117.14790
InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey SIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES c1cc2ccccc2[nH]1
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 1H-indole (CHEBI:16881) is a indole (CHEBI:35581)
1H-indole (CHEBI:16881) is a polycyclic heteroarene (CHEBI:38180)
1H-indole (CHEBI:16881) is tautomer of 3H-indole (CHEBI:35579)
Incoming (R)-3-(5-benzyloxyindol-3-yl)lactic acid (CHEBI:55530) has functional parent 1H-indole (CHEBI:16881)
(R)-indole-3-lactic acid (CHEBI:55528) has functional parent 1H-indole (CHEBI:16881)
2-methyl-1H-indole (CHEBI:49402) has parent hydride 1H-indole (CHEBI:16881)
3H-indole (CHEBI:35579) is tautomer of 1H-indole (CHEBI:16881)
IUPAC Name
1H-indole
Synonyms Sources
2,3-Benzopyrrole KEGG COMPOUND
Indol NIST Chemistry WebBook
INDOLE PDBeChem
Indole KEGG COMPOUND
indole UniProt
Database Links Databases
C00001418 KNApSAcK
C00463 KEGG COMPOUND
DB04532 DrugBank
IND PDBeChem
View more database links
Registry Numbers Types Sources
107693 Beilstein Registry Number Beilstein
120-72-9 CAS Registry Number KEGG COMPOUND
120-72-9 CAS Registry Number ChemIDplus
120-72-9 CAS Registry Number NIST Chemistry WebBook
3477 Gmelin Registry Number Gmelin
Last Modified
28 July 2014