vanilpyruvic acid (CHEBI:88402)

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ChEBI Name	vanilpyruvic acid

ChEBI ID	CHEBI:88402

Definition	A 2-oxo monocarboxylic acid that is 3,4-dihydroxyphenylpyruvic acid in which the hydroxy group at position 3 is substituted by a methoxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O5

Net Charge

Average Mass

210.185

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=CC(CC(=O)C(O)=O)=CC=C1O

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 )

Biological Role(s):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology
Outgoing	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	vanilpyruvate (CHEBI:195231) is conjugate base of vanilpyruvic acid (CHEBI:88402)

IUPAC Name

3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid

Synonyms	Sources
(4-hydroxy-3-methoxyphenyl)pyruvic acid	ChEBI
3-methoxy-4-hydroxyphenylpyruvic acid	ChEBI
4-hydroxy-3-methoxy-α-oxobenzenepropanoic acid	ChEBI
4-hydroxy-3-methoxyphenylpyruvic acid	ChEBI
guaiacylpyruvic acid	ChEBI
vanil pyruvic acid	HMDB
vanylpyruvic acid	ChEBI

Last Modified

19 May 2023