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CHEBI:72991 - dihydrourocanate

ChEBI IDCHEBI:72991
ChEBI Namedihydrourocanate
Stars
DefinitionAn imidazolyl carboxylic acid anion that is the conjugate base of dihydrourocanic acid, obtained by deprotonation of the carboxy group.
Last Modified9 February 2017
SubmitterKAX
DownloadsMolfile
FormulaC6H7N2O2
Net Charge-1
Average Mass139.134
Monoisotopic Mass139.05130
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)/p-1
InChIKeyZCKYOWGFRHAZIQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
dihydrourocanate (CHEBI:72991) has functional parent propionate (CHEBI:17272)
dihydrourocanate (CHEBI:72991) is a monocarboxylic acid anion (CHEBI:35757)
dihydrourocanate (CHEBI:72991) is conjugate base of dihydrourocanic acid (CHEBI:73087)
Incoming Relation(s)
dihydrourocanic acid (CHEBI:73087) is conjugate acid of dihydrourocanate (CHEBI:72991)
IUPAC Name 
3-(1H-imidazol-4-yl)propanoate
Synonyms  Source
deaminohistidineSUBMITTER
4-imidazolylpropionateChEBI
imidazole propionateChEBI
4-imidazolylpropanoateChEBI
UniProt Name  Source
dihydrourocanateUniProt
Manual XrefsDatabases
CPD-15171MetaCyc
Registry NumbersSources
Reaxys:5522728Reaxys
Citations