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CHEBI:88402 - vanilpyruvic acid

ChEBI IDCHEBI:88402
ChEBI Namevanilpyruvic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is 3,4-dihydroxyphenylpyruvic acid in which the hydroxy group at position 3 is substituted by a methoxy group.
Last Modified19 May 2023
DownloadsMolfile
FormulaC10H10O5
Net Charge0
Average Mass210.185
Monoisotopic Mass210.05282
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)
InChIKeyYGQHQTMRZPHIBB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (16288991)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
vanilpyruvic acid (CHEBI:88402) has functional parent 3,4-dihydroxyphenylpyruvic acid (CHEBI:19891)
vanilpyruvic acid (CHEBI:88402) has role human urinary metabolite (CHEBI:84087)
vanilpyruvic acid (CHEBI:88402) is a 2-oxo monocarboxylic acid (CHEBI:35910)
vanilpyruvic acid (CHEBI:88402) is a monomethoxybenzene (CHEBI:25235)
vanilpyruvic acid (CHEBI:88402) is a phenols (CHEBI:33853)
vanilpyruvic acid (CHEBI:88402) is conjugate acid of vanilpyruvate (CHEBI:195231)
Incoming Relation(s)
vanilpyruvate (CHEBI:195231) is conjugate base of vanilpyruvic acid (CHEBI:88402)
IUPAC Name 
3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
Synonyms  Source
vanil pyruvic acidHMDB
vanylpyruvic acidChEBI
4-hydroxy-3-methoxyphenylpyruvic acidChEBI
3-methoxy-4-hydroxyphenylpyruvic acidChEBI
guaiacylpyruvic acidChEBI
4-hydroxy-3-methoxy-α-oxobenzenepropanoic acidChEBI
Manual XrefsDatabases
HMDB0011714HMDB
FDB028400FooDB
Registry NumbersSources
Reaxys:2697319Reaxys
CAS:1081-71-6ChEBI
Citations