1H-indole (CHEBI:16881)

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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

Download	Molfile XML SDF

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Formulae

C8H7N
C8H7N

Net Charge

Average Mass

117.14790

Monoisotopic Mass

117.05785

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

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	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). (via indole )

ChEBI Ontology
Outgoing	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	(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) 5-isoprenylindole-3-carboxylate β-D-glycosyl ester (CHEBI:156389) has functional parent 1H-indole (CHEBI:16881) N-(β-D-glucopyranosyl)indole (CHEBI:140485) 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

Last Modified

26 March 2018