Record Information
Version2.0
Creation Date2012-05-31 13:51:51 -0600
Update Date2015-06-03 15:54:05 -0600
Secondary Accession Numbers
  • ECMDB01405
Identification
Name:3-Sulfinylpyruvic acid
Description3-Sulfinylpyruvic acid is found in E.coli's cysteine amd methionine metobolic pathway. It is the deaminated form of Cysteine sulfinic acid (PMID: 3925121), which subsequently spontaneously reacts to form pyruvate while releasing sulfur dioxide. It is the byproduct of oxidoreductases (EC 1.4.1.-), and aspartate transaminase (EC 2.6.1.1).
Structure
Thumb
Synonyms:
  • β-sulfinylpyruvate
  • β-sulfinylpyruvic acid
  • β-sulphinylpyruvate
  • β-sulphinylpyruvic acid
  • 3-Sulfinopyruvate
  • 3-Sulfinopyruvic acid
  • 3-Sulfinyl-pyruvate
  • 3-Sulfinyl-pyruvic acid
  • 3-Sulfinylpyruvate
  • 3-Sulphinopyruvate
  • 3-Sulphinopyruvic acid
  • 3-Sulphinyl-pyruvate
  • 3-Sulphinyl-pyruvic acid
  • 3-Sulphinylpyruvate
  • 3-Sulphinylpyruvic acid
  • b-Sulfinylpyruvate
  • b-Sulfinylpyruvic acid
  • b-Sulphinylpyruvate
  • b-Sulphinylpyruvic acid
  • Beta-Sulfinylpyruvate
  • Beta-Sulfinylpyruvic acid
  • Beta-Sulphinylpyruvate
  • Beta-Sulphinylpyruvic acid
  • β-Sulfinylpyruvate
  • β-Sulfinylpyruvic acid
  • β-Sulphinylpyruvate
  • β-Sulphinylpyruvic acid
Chemical Formula:C3H3O5S
Weight:Average: 151.118
Monoisotopic: 150.970118896
InChI Key:JXYLQEMXCAAMOL-UHFFFAOYSA-M
InChI:InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-1
CAS number:Not Available
IUPAC Name:Not Available
Traditional IUPAC Name:Not Available
SMILES:OC(=O)C(=O)CS([O-])=O
Chemical Taxonomy
ClassificationNot classified
Physical Properties
State:Solid
Charge:Not Available
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:Not Available
KEGG Pathways:
  • Cysteine and methionine metabolism ec00270
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bvl-9300000000-b9d5aeadd8b7738b7353View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0ab9-9600000000-56bba3bcd18999fead91View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0f89-0900000000-871c9b0796f2447470edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00li-9600000000-da362e24b25de10e7c3eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9100000000-47872b5d21e6463c1ffcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-1900000000-d91ad6a6d2809d9a6714View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0fb9-9400000000-f213ed656a1bcd5e1554View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0w93-9400000000-7973a19a971bd544bf7eView in MoNA
References
References:
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
  • Kunert, J. (1985). "Metabolism of sulfur-containing amino acids in the dermatophyte Microsporum gypseum. II. Acidic amino acid derivatives." J Basic Microbiol 25:111-118. Pubmed: 3925121
  • Oparinde DP, Oghagbon EK, Okesina AB, Olatunji PO, Ojuawo AO: Role of hepatic enzymes in the biochemical assessment of the severity of sickle cell anemia. Trop Gastroenterol. 2006 Jul-Sep;27(3):118-21. Pubmed: 17310554
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
HMDB IDHMDB01405
Pubchem Compound ID6398963
Kegg IDC05527
ChemSpider ID4911362
BioCyc ID3-SULFINYL-PYRUVATE
EcoCyc ID3-SULFINYL-PYRUVATE

Enzymes

General function:
Involved in transferase activity
Specific function:
L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate
Gene Name:
aspC
Uniprot ID:
P00509
Molecular weight:
43573
Reactions
L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate.