Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:55:32 UTC |
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Update Date | 2022-03-07 02:53:37 UTC |
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HMDB ID | HMDB0033212 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Dimethyl selenide |
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Description | Dimethyl selenide, also known as (CH3)2Se or selenium dimethyl, belongs to the class of organic compounds known as selenoethers. These are organic compounds containing a selenoether group, with the general formula RseR' ( where R, R' are not H atoms). Dimethyl selenide is a drug. Dimethyl selenide has been detected, but not quantified in, several different foods, such as mustard spinaches (Brassica perviridis), sweet rowanberries (Grataegosorbus mitschurinii), agaves (Agave), chinese bayberries (Myrica rubra), and cinnamons (Cinnamomum). This could make dimethyl selenide a potential biomarker for the consumption of these foods. Dimethyl selenide is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Dimethyl selenide. |
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Structure | InChI=1S/C2H6Se/c1-3-2/h1-2H3 |
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Synonyms | Value | Source |
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(CH3)2Se | ChEBI | Dimethylselenium | ChEBI | Methyl selenide | ChEBI | Methyl selenium | ChEBI | Selenium dimethyl | ChEBI | Selenobismethane | ChEBI | (Methylselanyl)methane | HMDB | Dimethyl-selenide | HMDB | Dimethylselenide | HMDB | Methane, selenobis- (9ci) | HMDB | Methyl selenide (8ci) | HMDB | Methyl selenide, 8ci | HMDB | Selenobis-methane | HMDB | Selenobismethane, 9ci | HMDB | DMe-selenide | MeSH, HMDB | Dimethylselenide, 75Se-labeled | MeSH, HMDB |
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Chemical Formula | C2H6Se |
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Average Molecular Weight | 109.03 |
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Monoisotopic Molecular Weight | 109.96347202 |
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IUPAC Name | (methylselanyl)methane |
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Traditional Name | dimethylselenide |
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CAS Registry Number | 593-79-3 |
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SMILES | C[Se]C |
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InChI Identifier | InChI=1S/C2H6Se/c1-3-2/h1-2H3 |
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InChI Key | RVIXKDRPFPUUOO-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as selenoethers. These are organic compounds containing a selenoether group, with the general formula RseR' ( where R, R' are not H atoms). |
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Kingdom | Organic compounds |
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Super Class | Organometallic compounds |
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Class | Organometalloid compounds |
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Sub Class | Organoselenium compounds |
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Direct Parent | Selenoethers |
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Alternative Parents | |
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Substituents | - Selenoether
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | -87.2 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 24.4 mg/mL at 25 °C | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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Dimethyl selenide | C[Se]C | 573.4 | Standard polar | 33892256 | Dimethyl selenide | C[Se]C | 527.1 | Standard non polar | 33892256 | Dimethyl selenide | C[Se]C | 553.2 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Dimethyl selenide GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4l-5900000000-717b45f25e8f72124e71 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Dimethyl selenide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Dimethyl selenide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 10V, Positive-QTOF | splash10-03di-0900000000-f33023a1a99a7f5816ad | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 20V, Positive-QTOF | splash10-03di-0900000000-52f4296a65752e430fce | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 40V, Positive-QTOF | splash10-03di-0900000000-a3cb6690b98976ee60da | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 10V, Negative-QTOF | splash10-0a4l-8900000000-3b964e17a5bd7ef922c2 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 20V, Negative-QTOF | splash10-0a4i-1900000000-dd3e52051b2f8b997e36 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 40V, Negative-QTOF | splash10-0a4i-1900000000-18c7fa02391df77a4a07 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 10V, Negative-QTOF | splash10-0a4i-0900000000-ec8a01ba12387f3ddbc5 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 20V, Negative-QTOF | splash10-0a4i-0900000000-ec8a01ba12387f3ddbc5 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 40V, Negative-QTOF | splash10-0a4l-6900000000-d92a4700e64f1804481f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 10V, Positive-QTOF | splash10-03di-0900000000-db34d4f3e1e3d0120539 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 20V, Positive-QTOF | splash10-03di-0900000000-db34d4f3e1e3d0120539 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Dimethyl selenide 40V, Positive-QTOF | splash10-0006-9300000000-8a89ca2c13ff13bd5e66 | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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- Ghasemi E, Farahani H: Head space solid phase microextraction based on nano-structured lead dioxide: application to the speciation of volatile organoselenium in environmental and biological samples. J Chromatogr A. 2012 Oct 5;1258:16-20. doi: 10.1016/j.chroma.2012.08.027. Epub 2012 Aug 15. [PubMed:22939459 ]
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- Bayse CA, Antony S: Modeling the oxidation of ebselen and other organoselenium compounds using explicit solvent networks. J Phys Chem A. 2009 May 14;113(19):5780-5. doi: 10.1021/jp901880n. [PubMed:19374403 ]
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- Campillo N, Penalver R, Hernandez-Cordoba M: Determination of dimethylselenide and dimethyldiselenide in milk and milk by-products by solid-phase microextraction and gas chromatography with atomic emission detection. Talanta. 2010 Mar 15;80(5):1856-61. doi: 10.1016/j.talanta.2009.10.034. Epub 2009 Oct 24. [PubMed:20152423 ]
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- Magos L, Tandon SK, Webb M, Snowden R: The effects of treatment with selenite before and after the administration of [75Se]selenite on the exhalation of [75Se]dimethylselenide. Toxicol Lett. 1987 Apr;36(2):167-72. [PubMed:3576647 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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