EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16881 - 1H-indole

ChEBI IDCHEBI:16881
ChEBI Name1H-indole
Stars
ASCII Name1H-indole
Secondary ChEBI IDsCHEBI:5900, CHEBI:14444, CHEBI:24794, CHEBI:43537
Last Modified26 March 2018
DownloadsMolfile
FormulaC8H7N
Net Charge0
Average Mass117.151
Monoisotopic Mass117.05785
SMILESc1ccc2nccc2c1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1H-indole (CHEBI:16881) has role Escherichia coli metabolite (CHEBI:76971)
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 Relation(s)
(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)
N-(β-D-glucopyranosyl)indole (CHEBI:140485) has functional parent 1H-indole (CHEBI:16881)
5-isoprenylindole-3-carboxylate β-D-glycosyl ester (CHEBI:156389) has functional parent 1H-indole (CHEBI:16881)
xenocyloin (CHEBI:156365) 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  Source
IndoleKEGG COMPOUND
2,3-BenzopyrroleKEGG COMPOUND
IndolNIST Chemistry WebBook
INDOLEPDBeChem
UniProt Name  Source
indoleUniProt
Manual XrefsDatabases
C00463KEGG COMPOUND
C00463KEGG COMPOUND
INDPDBeChem
DB04532DrugBank
C00001418KNApSAcK
Registry NumbersSources
Beilstein:107693Beilstein
Gmelin:3477Gmelin
CAS:120-72-9KEGG COMPOUND
CAS:120-72-9NIST Chemistry WebBook
CAS:120-72-9ChemIDplus