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CHEBI:77620 - 5-oxido-6-methylpyridinium-3,4-dicarboxylate

Default Structure
ChEBI IDCHEBI:77620
ChEBI Name5-oxido-6-methylpyridinium-3,4-dicarboxylate
Stars
DefinitionA pyridinedicarboxylate that is the major structure of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H5NO5
Net Charge-2
Average Mass195.130
Monoisotopic Mass195.01787
SMILESCc1[nH+]cc(C(=O)[O-])c(C(=O)[O-])c1[O-]
InChIInChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)/p-2
InChIKeyLVJJEIJOKPHQOU-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
5-oxido-6-methylpyridinium-3,4-dicarboxylate (CHEBI:77620) is a pyridinedicarboxylate (CHEBI:36173)
5-oxido-6-methylpyridinium-3,4-dicarboxylate (CHEBI:77620) is conjugate base of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid (CHEBI:17978)
5-oxido-6-methylpyridinium-3,4-dicarboxylate (CHEBI:77620) is tautomer of 5-hydroxy-6-methylpyridine-3,4-dicarboxylate (CHEBI:11807)
Incoming Relation(s)
5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid (CHEBI:17978) is conjugate acid of 5-oxido-6-methylpyridinium-3,4-dicarboxylate (CHEBI:77620)
5-hydroxy-6-methylpyridine-3,4-dicarboxylate (CHEBI:11807) is tautomer of 5-oxido-6-methylpyridinium-3,4-dicarboxylate (CHEBI:77620)
IUPAC Name 
6-methyl-5-oxidopyridinium-3,4-dicarboxylate
UniProt Name  Source
5-hydroxy-6-methylpyridine-3,4-dicarboxylateUniProt