CHEBI:195231 - vanilpyruvate

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ChEBI Name vanilpyruvate ChEBI ID CHEBI:195231 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Noemi Tejera Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H9O5 Net Charge -1 Average Mass 209.178 Monoisotopic Mass 209.04555 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)/p-1 InChIKey YGQHQTMRZPHIBB-UHFFFAOYSA-M SMILES COC1=CC(CC(=O)C([O-])=O)=CC=C1O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed ChEBI Ontology Outgoing 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 vanilpyruvic acid (CHEBI:88402) is conjugate acid of vanilpyruvate (CHEBI:195231) IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoate Synonyms Sources (4-hydroxy-3-methoxyphenyl)pyruvate ChEBI 3-methoxy-4-hydroxyphenylpyruvate ChEBI 4-hydroxy-3-methoxy-α-oxobenzenepropanoate ChEBI 4-hydroxy-3-methoxyphenylpyruvate ChEBI guaiacylpyruvate ChEBI vanilpyruvate MetaCyc vanylpyruvate ChEBI Manual Xref Database CPD-11830 MetaCyc View more database links Citations Types Sources 1259442 PubMed citation Europe PMC 4292086 PubMed citation Europe PMC Last Modified 22 August 2023