EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H7N |
| Net Charge | 0 |
| Average Mass | 117.151 |
| Monoisotopic Mass | 117.05785 |
| SMILES | c1ccc2nccc2c1 |
| InChI | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| InChIKey | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 |
|---|---|
| 2,3-Benzopyrrole | KEGG COMPOUND |
| Indol | NIST Chemistry WebBook |
| Indole | KEGG COMPOUND |
| INDOLE | PDBeChem |
| UniProt Name | Source |
|---|---|
| indole | UniProt |