Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 13:51:51 -0600 |
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Update Date | 2015-06-03 15:54:05 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 3-Sulfinylpyruvic acid |
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Description | 3-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). |
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Structure | |
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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
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Chemical Formula: | C3H3O5S |
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Weight: | Average: 151.118 Monoisotopic: 150.970118896 |
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InChI Key: | JXYLQEMXCAAMOL-UHFFFAOYSA-M |
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InChI: | InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-1 |
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CAS number: | Not Available |
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IUPAC Name: | 2-oxo-3-sulfinopropanoic acid |
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Traditional IUPAC Name: | 3-sulfinylpyruvate |
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SMILES: | OC(=O)C(=O)CS([O-])=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Keto acids and derivatives |
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Sub Class | Alpha-keto acids and derivatives |
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Direct Parent | Alpha-keto acids and derivatives |
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Alternative Parents | |
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Substituents | - Alpha-keto acid
- Alpha-hydroxy ketone
- Sulfinic acid
- Ketone
- Alkanesulfinic acid
- Alkanesulfinic acid or derivatives
- Sulfinic acid derivative
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Organooxygen compound
- Organosulfur compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State: | Solid |
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Charge: | -2 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | - Cysteine and methionine metabolism ec00270
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0bvl-9300000000-b9d5aeadd8b7738b7353 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0ab9-9600000000-56bba3bcd18999fead91 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f89-0900000000-871c9b0796f2447470ed | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00li-9600000000-da362e24b25de10e7c3e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9100000000-47872b5d21e6463c1ffc | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-1900000000-d91ad6a6d2809d9a6714 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0fb9-9400000000-f213ed656a1bcd5e1554 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0w93-9400000000-7973a19a971bd544bf7e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0ulc-9600000000-23622faf57828eab4fed | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dl-9000000000-4fae7c347514ef087b68 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01ox-9000000000-5f2edaa9051f5ab324ba | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-9216d677abe986964826 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-9000000000-64a44662186d1bb88d15 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-16b11026ba456f1a6f3c | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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References |
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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
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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