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CHEBI:73087 - dihydrourocanic acid

ChEBI IDCHEBI:73087
ChEBI Namedihydrourocanic acid
Stars
DefinitionA monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by an imidazol-4-yl group.
Last Modified9 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC6H8N2O2
Net Charge0
Average Mass140.142
Monoisotopic Mass140.05858
SMILESO=C(O)CCc1cncn1
InChIInChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeyZCKYOWGFRHAZIQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
dihydrourocanic acid (CHEBI:73087) has functional parent propionic acid (CHEBI:30768)
dihydrourocanic acid (CHEBI:73087) is a imidazoles (CHEBI:24780)
dihydrourocanic acid (CHEBI:73087) is a monocarboxylic acid (CHEBI:25384)
dihydrourocanic acid (CHEBI:73087) is conjugate acid of dihydrourocanate (CHEBI:72991)
Incoming Relation(s)
dihydrourocanate (CHEBI:72991) is conjugate base of dihydrourocanic acid (CHEBI:73087)
IUPAC Name 
3-(1H-imidazol-4-yl)propanoic acid
Synonyms  Source
deaminohistidineChEBI
4-imidazolylpropionic acidChEBI
3-(Imidazol-4-yl)propionic acidChemIDplus
1H-Imidazole-4-propanoic acidChemIDplus
1H-Imidazole-4-propanoic acidHMDB
Imidazolylpropionic acidHMDB
Manual XrefsDatabases
CPD-15171MetaCyc
HMDB0002271HMDB
Registry NumbersSources
Reaxys:4925Reaxys
CAS:1074-59-5ChemIDplus
Citations