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CHEBI:17468 - (4-bromophenylsulfanyl)pyruvate

ChEBI IDCHEBI:17468
ChEBI Name(4-bromophenylsulfanyl)pyruvate
Stars
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of (4-bromophenylsulfanyl)pyruvic acid, arising from deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:12735, CHEBI:22016
Last Modified21 October 2020
DownloadsMolfile
FormulaC9H6BrO3S
Net Charge-1
Average Mass274.115
Monoisotopic Mass272.92265
SMILESO=C([O-])C(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13)/p-1
InChIKeyQJDFZNIKGFGPCR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
(4-bromophenylsulfanyl)pyruvate (CHEBI:17468) has functional parent bromobenzene (CHEBI:3179)
(4-bromophenylsulfanyl)pyruvate (CHEBI:17468) has functional parent pyruvate (CHEBI:15361)
(4-bromophenylsulfanyl)pyruvate (CHEBI:17468) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
(4-bromophenylsulfanyl)pyruvate (CHEBI:17468) is conjugate base of (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934)
Incoming Relation(s)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is conjugate acid of (4-bromophenylsulfanyl)pyruvate (CHEBI:17468)
IUPAC Name 
3-[(4-bromophenyl)sulfanyl]-2-oxopropanoate
Synonyms  Source
S-(4-bromophenyl)sulfanylpyruvateChEBI
S-(4-Bromophenyl)-mercaptopyruvateKEGG COMPOUND
UniProt Name  Source
3-((4-bromophenyl)sulfanyl)-2-oxopropanoateUniProt
Manual XrefsDatabases
C04264KEGG COMPOUND