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CHEBI:195231 - vanilpyruvate

ChEBI IDCHEBI:195231
ChEBI Namevanilpyruvate
Stars
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of vanilpyruvic acid, arising from deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified22 August 2023
Submitterntejera
DownloadsMolfile
FormulaC10H9O5
Net Charge-1
Average Mass209.177
Monoisotopic Mass209.04555
SMILESCOc1cc(CC(=O)C(=O)[O-])ccc1O
InChIInChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)/p-1
InChIKeyYGQHQTMRZPHIBB-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (234254)
ChEBI Ontology
Outgoing Relation(s)
vanilpyruvate (CHEBI:195231) has functional parent 3,4-dihydroxyphenylpyruvate (CHEBI:29055)
vanilpyruvate (CHEBI:195231) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
vanilpyruvate (CHEBI:195231) is conjugate base of vanilpyruvic acid (CHEBI:88402)
Incoming Relation(s)
vanilpyruvic acid (CHEBI:88402) is conjugate acid of vanilpyruvate (CHEBI:195231)
IUPAC Name 
3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoate
Synonyms  Source
vanilpyruvateMetaCyc
guaiacylpyruvateChEBI
4-hydroxy-3-methoxy-α-oxobenzenepropanoateChEBI
(4-hydroxy-3-methoxyphenyl)pyruvateChEBI
3-methoxy-4-hydroxyphenylpyruvateChEBI
4-hydroxy-3-methoxyphenylpyruvateChEBI
Manual XrefsDatabases
CPD-11830MetaCyc
Citations