CHEBI:31113 - 3-dimethylallyl-4-hydroxyphenylpyruvic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-dimethylallyl-4-hydroxyphenylpyruvic acid ChEBI ID CHEBI:31113 Definition A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3-dimethylallyl-4-hydroxyphenyl group. Stars This entity has been manually annotated by the ChEBI Team. 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 C14H16O4 Net Charge 0 Average Mass 248.27440 Monoisotopic Mass 248.10486 InChI InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18) InChIKey VRMYGSOHQOAIFX-UHFFFAOYSA-N SMILES CC(C)=CCc1cc(CC(=O)C(O)=O)ccc1O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) has functional parent pyruvic acid (CHEBI:32816) 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is a 2-oxo monocarboxylic acid (CHEBI:35910) 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is a phenols (CHEBI:33853) 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is conjugate acid of 3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) Incoming 3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) is conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) IUPAC Name 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoic acid Synonym Source 3-(3,3-dimethylallyl)-4-hydroxyphenylpyruvic acid ChEBI Manual Xrefs Databases C12456 KEGG COMPOUND CPD-15467 MetaCyc View more database links Registry Number Type Source 21221638 Reaxys Registry Number Reaxys Citation Type Source 12618544 PubMed citation Europe PMC Last Modified 10 July 2013