CHEBI:8934 - (4-bromophenylsulfanyl)pyruvic acid

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ChEBI Name (4-bromophenylsulfanyl)pyruvic acid ChEBI ID CHEBI:8934 Definition A 2-oxo monocarboxylic acid comprising pyruvic acid having a 4-bromophenylsulfanyl group attached at the 3-position. 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 C9H7BrO3S Net Charge 0 Average Mass 275.12008 Monoisotopic Mass 273.92993 InChI InChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13) InChIKey QJDFZNIKGFGPCR-UHFFFAOYSA-N SMILES OC(=O)C(=O)CSc1ccc(Br)cc1 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 (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) has functional parent bromobenzene (CHEBI:3179) (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) has functional parent pyruvic acid (CHEBI:32816) (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is a 2-oxo monocarboxylic acid (CHEBI:35910) (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is a aryl sulfide (CHEBI:35683) (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is a organobromine compound (CHEBI:37141) (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is conjugate acid of (4-bromophenylsulfanyl)pyruvate (CHEBI:17468) Incoming (4-bromophenylsulfanyl)pyruvate (CHEBI:17468) is conjugate base of (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) IUPAC Name 3-[(4-bromophenyl)sulfanyl]-2-oxopropanoic acid Synonym Source S-(4-bromophenyl)mercaptopyruvic acid ChEBI Manual Xref Database C04264 KEGG COMPOUND View more database links Registry Numbers Types Sources 3286397 Reaxys Registry Number Reaxys 3286397 Beilstein Registry Number Beilstein Last Modified 18 March 2011