CHEBI:72991 - dihydrourocanate

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ChEBI Name dihydrourocanate ChEBI ID CHEBI:72991 Definition An imidazolyl carboxylic acid anion that is the conjugate base of dihydrourocanic acid, obtained by deprotonation of the carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H7N2O2 Net Charge -1 Average Mass 139.13200 Monoisotopic Mass 139.05130 InChI InChI=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 InChIKey ZCKYOWGFRHAZIQ-UHFFFAOYSA-M SMILES [O-]C(=O)CCc1c[nH]cn1 ChEBI Ontology Outgoing 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 dihydrourocanic acid (CHEBI:73087) is conjugate acid of dihydrourocanate (CHEBI:72991) IUPAC Name 3-(1H-imidazol-4-yl)propanoate Synonyms Sources 4-imidazolylpropanoate ChEBI 4-imidazolylpropionate ChEBI deaminohistidine SUBMITTER dihydrourocanate UniProt imidazole propionate ChEBI Manual Xref Database CPD-15171 MetaCyc View more database links Registry Number Type Source 5522728 Reaxys Registry Number Reaxys Citation Type Source 23078170 PubMed citation SUBMITTER Last Modified 09 February 2017