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CHEBI:86005 - 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid

ChEBI IDCHEBI:86005
ChEBI Name5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid
Stars
DefinitionA pyridone that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxopropyl group at position 5.
Last Modified12 June 2015
Submitternamrata
DownloadsMolfile
FormulaC10H9NO7
Net Charge0
Average Mass255.182
Monoisotopic Mass255.03790
SMILESO=C(O)C(=O)CCc1c(O)cc(C(=O)O)nc1=O
InChIInChI=1S/C10H9NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h3H,1-2H2,(H,15,16)(H,17,18)(H2,11,13,14)
InChIKeyVWBAKCRPXQBUFQ-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'-oxopropyl)-4,6-dihydroxypicolinic acid (CHEBI:86005) is a monohydroxypyridine (CHEBI:38182)
5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid (CHEBI:86005) is a oxo dicarboxylic acid (CHEBI:36145)
5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid (CHEBI:86005) is a pyridone (CHEBI:38183)
5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid (CHEBI:86005) is conjugate acid of 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate (CHEBI:2013)
Incoming Relation(s)
5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate (CHEBI:2013) is conjugate base of 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid (CHEBI:86005)
IUPAC Name 
5-(3-carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
Manual XrefsDatabases
C05656KEGG COMPOUND