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3-((4-bromophenyl)sulfanyl)-2-oxopropanoate

PropertiesImage
MNX_IDMNXM4182 Image of MNXM4182
referencechebi:17468
formulaC9H6BrO3S
global charge-1
mol weight274.115
InChIKeyQJDFZNIKGFGPCR-UHFFFAOYSA-M
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
SMILESO=C([O-])C(=O)CSC1=CC=C(Br)C=C1
MNX internals
InChI (mnx)InChI=1/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13) Image of MNXM4182
SMILES (mnx)[CH:1]1=[CH:3][C:7]([S:14][CH2:5][C:8]([C:9]([OH:12])=[O:13])=[O:11])=[CH:4][CH:2]=[C:6]1[Br:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17468
chebi:17468
QJDFZNIKGFGPCR-UHFFFAOYSA-M 		3-((4-bromophenyl)sulfanyl)-2-oxopropanoate
(4-bromophenylsulfanyl)pyruvate
3-[(4-bromophenyl)sulfanyl]-2-oxopropanoate
S-(4-Bromophenyl)-mercaptopyruvate
S-(4-bromophenyl)sulfanylpyruvate

CHEBI:8934
chebi:8934
QJDFZNIKGFGPCR-UHFFFAOYSA-N 		(4-bromophenylsulfanyl)pyruvic acid
3-[(4-bromophenyl)sulfanyl]-2-oxopropanoic acid
S-(4-bromophenyl)mercaptopyruvic acid

kegg.compound:C04264
keggC:C04264
QJDFZNIKGFGPCR-UHFFFAOYSA-N 		3-[(4-Bromophenyl)sulfanyl]-2-oxopropanoate
S-(4-Bromophenyl)-mercaptopyruvate

metacyc.compound:S-4-BROMOPHENYL-MERCAPTOPYRUVATE
metacycM:S-4-BROMOPHENYL-MERCAPTOPYRUVATE
QJDFZNIKGFGPCR-UHFFFAOYSA-M 		3-[(4-bromophenyl)sulfanyl]-2-oxopropanoate
3-(4-bromophenyl)sulfanyl-2-oxo-propanoic acid
S-(4-bromophenyl)-mercaptopyruvate

seed.compound:cpd02614
seedM:cpd02614
QJDFZNIKGFGPCR-UHFFFAOYSA-M 		S-(4-Bromophenyl)-mercaptopyruvate
3-(4-bromophenyl)sulfanyl-2-oxo-propanoic acid
S-(4-bromophenyl)-mercaptopyruvate

chebi:12735
chebi:22016
keggC:M_C04264
seedM:M_cpd02614 		secondary/obsolete/fantasy identifier