CHEBI:156055 - 3-(1H-imidazol-1-yl)propanoic acid

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ChEBI Name 3-(1H-imidazol-1-yl)propanoic acid
ChEBI ID CHEBI:156055
ChEBI ASCII Name 3-(1H-imidazol-1-yl)propanoic acid
Definition An imidazolyl carboxylic acid that is propanoic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group. It is a metabolite of histidine found in human urine and faeces.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C6H8N2O2
Net Charge 0
Average Mass 140.142
Monoisotopic Mass 140.05858
InChI InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
InChIKey VSFNAZLYGOOSEY-UHFFFAOYSA-N
SMILES OC(=O)CCN1C=CN=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
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): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(1H-imidazol-1-yl)propanoic acid (CHEBI:156055) has functional parent propionic acid (CHEBI:30768)
3-(1H-imidazol-1-yl)propanoic acid (CHEBI:156055) has role human urinary metabolite (CHEBI:84087)
3-(1H-imidazol-1-yl)propanoic acid (CHEBI:156055) is a imidazolyl carboxylic acid (CHEBI:38307)
IUPAC Name
3-(1H-imidazol-1-yl)propanoic acid
Synonyms Sources
3-imidazol-1-yl-propionic acid ChEBI
imidazolepropionic acid ChEBI
Registry Number Type Source
18999-45-6 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
13987921 PubMed citation Europe PMC
5038749 PubMed citation Europe PMC
5962347 PubMed citation Europe PMC
6136484 PubMed citation Europe PMC
6245056 PubMed citation Europe PMC
Last Modified
03 July 2020