EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2013 - 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate

ChEBI IDCHEBI:2013
ChEBI Name5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate
Stars
DefinitionAn oxo carboxylic acid anion that is the conjugate base of 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid.
Last Modified12 June 2015
DownloadsMolfile
FormulaC10H8NO7
Net Charge-1
Average Mass254.174
Monoisotopic Mass254.03063
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)/p-1
InChIKeyVWBAKCRPXQBUFQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate (CHEBI:2013) is a oxo carboxylic acid anion (CHEBI:35903)
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)
Incoming Relation(s)
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)
IUPAC Name 
5-(3-carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate
Synonym  Source
5-(gamma-Carboxy-gamma-oxopropyl)-4,6-dihydroxypicolinateKEGG COMPOUND
Manual XrefsDatabases
C05656KEGG COMPOUND