CHEBI:84093 - 3-(benzyloxy)-3-oxopropanoic acid

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ChEBI Name 3-(benzyloxy)-3-oxopropanoic acid ChEBI ID CHEBI:84093 Definition A dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol. 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 C10H10O4 Net Charge 0 Average Mass 194.18400 Monoisotopic Mass 194.05791 InChI InChI=1S/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) InChIKey CFLAHQSWDKNWPW-UHFFFAOYSA-N SMILES OC(=O)CC(=O)OCc1ccccc1 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. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-(benzyloxy)-3-oxopropanoic acid (CHEBI:84093) has functional parent benzyl alcohol (CHEBI:17987) 3-(benzyloxy)-3-oxopropanoic acid (CHEBI:84093) has functional parent malonic acid (CHEBI:30794) 3-(benzyloxy)-3-oxopropanoic acid (CHEBI:84093) has role human urinary metabolite (CHEBI:84087) 3-(benzyloxy)-3-oxopropanoic acid (CHEBI:84093) is a benzyl ester (CHEBI:90628) 3-(benzyloxy)-3-oxopropanoic acid (CHEBI:84093) is a dicarboxylic acid monoester (CHEBI:36244) IUPAC Name 3-(benzyloxy)-3-oxopropanoic acid Synonyms Sources 2-benzyloxycarbonylacetic acid ChEBI benzyl hemimalonate ChemIDplus benzyl hydrogen malonate ChemIDplus mono-benzyl malonate HMDB monobenzyl malonate ChemIDplus Manual Xref Database HMDB0059721 HMDB View more database links Registry Numbers Types Sources 1960418 Reaxys Registry Number Reaxys 40204-26-0 CAS Registry Number ChemIDplus Last Modified 03 December 2015