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CHEBI:2012 - 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid

ChEBI IDCHEBI:2012
ChEBI Name5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid
Stars
DefinitionAn oxo dicarboxylic acid that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxoprop-1-en-1-yl group at position 5.
Last Modified11 June 2015
DownloadsMolfile
FormulaC10H7NO7
Net Charge0
Average Mass253.166
Monoisotopic Mass253.02225
SMILES[H]C(=Cc1c(O)cc(C(=O)O)nc1=O)C(=O)C(=O)O
InChIInChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)
InChIKeyATWKTZAAIUROID-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)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) has functional parent picolinic acid (CHEBI:28747)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) is a oxo dicarboxylic acid (CHEBI:36145)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) is a pyridone (CHEBI:38183)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) is conjugate acid of 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate (CHEBI:86002)
Incoming Relation(s)
5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate (CHEBI:86002) is conjugate base of 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012)
IUPAC Name 
5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
Manual XrefsDatabases
C05641KEGG COMPOUND