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CHEBI:57777 - 1,4,5,6-tetrahydro-6-oxonicotinate

ChEBI IDCHEBI:57777
ChEBI Name1,4,5,6-tetrahydro-6-oxonicotinate
Stars
DefinitionThe conjugate base of 1,4,5,6-tetrahydro-6-oxonicotinic acid; major species at pH 7.3.
Last Modified23 June 2014
DownloadsMolfile
FormulaC6H6NO3
Net Charge-1
Average Mass140.118
Monoisotopic Mass140.03532
SMILESO=C1CCC(C(=O)[O-])=CN1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)/p-1
InChIKeySDKCWSUZEUBWLP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
1,4,5,6-tetrahydro-6-oxonicotinate (CHEBI:57777) is a 4-oxo monocarboxylic acid anion (CHEBI:35974)
1,4,5,6-tetrahydro-6-oxonicotinate (CHEBI:57777) is conjugate base of 1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453)
Incoming Relation(s)
1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453) is conjugate acid of 1,4,5,6-tetrahydro-6-oxonicotinate (CHEBI:57777)
IUPAC Name 
6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Synonym  Source
1,4,5,6-tetrahydro-6-oxonicotinate anionChEBI
UniProt Name  Source
1,4,5,6-tetrahydro-6-oxonicotinateUniProt