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CHEBI:30960 - 5-pyridoxate

Default Structure
ChEBI IDCHEBI:30960
ChEBI Name5-pyridoxate
Stars
DefinitionA pyridoxate that is the conjugate base of 5-pyridoxic acid, obtained by deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:11815, CHEBI:20044, CHEBI:20045
Last Modified13 November 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H8NO4
Net Charge-1
Average Mass182.155
Monoisotopic Mass182.04588
SMILESCc1ncc(C(=O)[O-])c(CO)c1O
InChIInChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)/p-1
InChIKeyVJZTVPVXKYQRJZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-pyridoxate (CHEBI:30960) has functional parent nicotinate (CHEBI:32544)
5-pyridoxate (CHEBI:30960) is a pyridoxate (CHEBI:132948)
5-pyridoxate (CHEBI:30960) is conjugate base of 5-pyridoxic acid (CHEBI:16409)
Incoming Relation(s)
5-pyridoxic acid (CHEBI:16409) is conjugate acid of 5-pyridoxate (CHEBI:30960)
IUPAC Name 
5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
Synonyms  Source
3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylateKEGG COMPOUND
5-hydroxy-4-(hydroxymethyl)-6-methylnicotinateChEBI
5-PyridoxateKEGG COMPOUND
UniProt Name  Source
5-pyridoxateUniProt
Manual XrefsDatabases
C04773KEGG COMPOUND
C04773KEGG COMPOUND