CHEBI:43580 - 3-(1H-indol-3-yl)propanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(1H-indol-3-yl)propanoic acid
ChEBI ASCII Name 3-(1H-indol-3-yl)propanoic acid
Definition An indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C11H11NO2
Net Charge 0
Average Mass 189.21050
Monoisotopic Mass 189.07898
InChI InChI=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)
SMILES OC(=O)CCc1c[nH]c2ccccc12
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): auxin
Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) has functional parent propionic acid (CHEBI:30768)
3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) has role auxin (CHEBI:22676)
3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) has role human metabolite (CHEBI:77746)
3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) has role plant metabolite (CHEBI:76924)
3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) is a indol-3-yl carboxylic acid (CHEBI:24810)
3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) is conjugate acid of 3-(1H-indol-3-yl)propanoate (CHEBI:82916)
Incoming 3-(1H-indol-3-yl)propanoate (CHEBI:82916) is conjugate base of 3-(1H-indol-3-yl)propanoic acid (CHEBI:43580)
3-(1H-indol-3-yl)propanoic acid
Synonyms Sources
beta-(3-Indolyl)propionic acid ChemIDplus
Indole-3-propionic acid ChemIDplus
Indolepropionic acid ChemIDplus
Manual Xrefs Databases
HMDB0002302 HMDB
View more database links
Registry Numbers Types Sources
147733 Reaxys Registry Number Reaxys
830-96-6 CAS Registry Number ChemIDplus
830-96-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12212784 PubMed citation Europe PMC
14606996 PubMed citation Europe PMC
21307383 PubMed citation Europe PMC
22885049 PubMed citation Europe PMC
24510403 PubMed citation Europe PMC
Last Modified
23 October 2015