EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2009 - 5-(2'-carboxyethyl)-4,6-dihydroxypicolinate

ChEBI IDCHEBI:2009
ChEBI Name5-(2'-carboxyethyl)-4,6-dihydroxypicolinate
Stars
DefinitionAn oxo carboxylic acid anion that is the conjugate base of 5-(2'-carboxyethyl)-4,6-dihydroxypicolinic acid.
Last Modified12 June 2015
DownloadsMolfile
FormulaC9H8NO6
Net Charge-1
Average Mass226.164
Monoisotopic Mass226.03571
SMILESO=C(O)CCc1c(O)cc(C(=O)[O-])nc1=O
InChIInChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H,15,16)(H2,10,11,14)/p-1
InChIKeyMEACACCQPBWCOO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-(2'-carboxyethyl)-4,6-dihydroxypicolinate (CHEBI:2009) is a oxo carboxylic acid anion (CHEBI:35903)
5-(2'-carboxyethyl)-4,6-dihydroxypicolinate (CHEBI:2009) is conjugate base of 5-(2'-carboxyethyl)-4,6-dihydroxypicolinic acid (CHEBI:86004)
Incoming Relation(s)
5-(2'-carboxyethyl)-4,6-dihydroxypicolinic acid (CHEBI:86004) is conjugate acid of 5-(2'-carboxyethyl)-4,6-dihydroxypicolinate (CHEBI:2009)
IUPAC Name 
5-(2-carboxyethyl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate
Synonym  Source
5-(beta-Carboxyethyl)-4,6-dihydroxypicolinateKEGG COMPOUND
Manual XrefsDatabases
C05655KEGG COMPOUND