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CHEBI:747443 - 5-carboxyvanillate

Default Structure
ChEBI IDCHEBI:747443
ChEBI Name5-carboxyvanillate
Stars
Last Modified11 March 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H6O6
Net Charge-2
Average Mass210.141
Monoisotopic Mass210.01754
SMILESCOc1cc(C(=O)[O-])cc(C(=O)[O-])c1O
InChIInChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)/p-2
InChIKeyNLSSJYQPZIQJNC-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
5-carboxyvanillate (CHEBI:747443) is a dicarboxylic acid dianion (CHEBI:28965)
5-carboxyvanillate (CHEBI:747443) is conjugate base of 5-Carboxyvanillic acid (CHEBI:81684)
UniProt Name  Source
5-carboxyvanillateUniProt
Manual XrefsDatabases
CPD-11853MetaCyc
Citations