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

ChEBI IDCHEBI:156055
ChEBI Name3-(1H-imidazol-1-yl)propanoic acid
Stars
ASCII Name3-(1H-imidazol-1-yl)propanoic acid
DefinitionAn 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.
Last Modified3 July 2020
Submittermwilliams
DownloadsMolfile
FormulaC6H8N2O2
Net Charge0
Average Mass140.142
Monoisotopic Mass140.05858
SMILESO=C(O)CCn1ccnc1
InChIInChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
InChIKeyVSFNAZLYGOOSEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (6136484)
urine (BTO:0001419) PubMed (5038749)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
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  Source
imidazolepropionic acidChEBI
3-imidazol-1-yl-propionic acidChEBI
Registry NumbersSources
CAS:18999-45-6ChEBI
Citations