CHEBI:88402 - Vanilpyruvic acid

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ChEBI Name Vanilpyruvic acid
ChEBI ID CHEBI:88402
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H10O5
Net Charge 0
Average Mass 210.184
Monoisotopic Mass 210.05282
InChI InChI=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)
InChIKey YGQHQTMRZPHIBB-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)CC(=O)C(=O)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Vanilpyruvic acid (CHEBI:88402) has functional parent pyruvic acid (CHEBI:32816)
Vanilpyruvic acid (CHEBI:88402) is a 2-oxo monocarboxylic acid (CHEBI:35910)
IUPAC Name
3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
Synonym Source
Vanil pyruvic acid HMDB
Manual Xref Database
HMDB0011714 HMDB
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Registry Number Type Source
1081-71-6 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
16288991 PubMed citation Europe PMC