EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86003 - 5-(2'-formylethyl)-4,6-dihydroxypicolinate

ChEBI IDCHEBI:86003
ChEBI Name5-(2'-formylethyl)-4,6-dihydroxypicolinate
Stars
DefinitionA pyridinemonocarboxylate that is the conjugate base of 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid.
Last Modified12 June 2015
Submitternamrata
DownloadsMolfile
FormulaC9H8NO5
Net Charge-1
Average Mass210.165
Monoisotopic Mass210.04080
SMILES[H]C(=O)CCc1c(O)cc(C(=O)[O-])nc1=O
InChIInChI=1S/C9H9NO5/c11-3-1-2-5-7(12)4-6(9(14)15)10-8(5)13/h3-4H,1-2H2,(H,14,15)(H2,10,12,13)/p-1
InChIKeyKJVDAGWOPCLJNY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-(2'-formylethyl)-4,6-dihydroxypicolinate (CHEBI:86003) is a pyridinemonocarboxylate (CHEBI:38181)
5-(2'-formylethyl)-4,6-dihydroxypicolinate (CHEBI:86003) is conjugate base of 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid (CHEBI:2010)
Incoming Relation(s)
5-(2'-formylethyl)-4,6-dihydroxypicolinic acid (CHEBI:2010) is conjugate acid of 5-(2'-formylethyl)-4,6-dihydroxypicolinate (CHEBI:86003)
IUPAC Name 
4-hydroxy-6-oxo-5-(3-oxopropyl)-1,6-dihydropyridine-2-carboxylate
Synonym  Source
5-(beta-Formylethyl)-4,6-dihydroxypicolinateKEGG COMPOUND
Manual XrefsDatabases
C05654KEGG COMPOUND