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CHEBI:82916 - 3-(1H-indol-3-yl)propanoate

ChEBI IDCHEBI:82916
ChEBI Name3-(1H-indol-3-yl)propanoate
Stars
ASCII Name3-(1H-indol-3-yl)propanoate
DefinitionA monocarboxylic acid anion that is the conjugate base of 3-(1H-indol-3-yl)propanoic acid.
Last Modified15 August 2022
Submitternamrata
DownloadsMolfile
FormulaC11H10NO2
Net Charge-1
Average Mass188.206
Monoisotopic Mass188.07170
SMILESO=C([O-])CCc1cnc2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p-1
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-(1H-indol-3-yl)propanoate (CHEBI:82916) has role human metabolite (CHEBI:77746)
3-(1H-indol-3-yl)propanoate (CHEBI:82916) is a monocarboxylic acid anion (CHEBI:35757)
3-(1H-indol-3-yl)propanoate (CHEBI:82916) is conjugate base of 3-(1H-indol-3-yl)propanoic acid (CHEBI:43580)
Incoming Relation(s)
3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) is conjugate acid of 3-(1H-indol-3-yl)propanoate (CHEBI:82916)
IUPAC Name 
3-(1H-indol-3-yl)propanoate
Synonyms  Source
indole-3-propionateChEBI
indolepropionateChEBI
UniProt Name  Source
indole-3-propanoateUniProt
Registry NumbersSources
Reaxys:3907068Reaxys