Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:42 UTC |
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Update date | 2019-11-26 02:55:21 UTC |
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Primary ID | FDB000764 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Dimethyl sulfoxide |
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Description | Found in broad bean Phaseolus vulgaris, alfalfa Medicago sativa and many other plants. Flavouring agent
Dimethyl sulfoxide (DMSO) is the organosulfur compound with the formula (CH3)2SO. This colorless liquid is an important polar aprotic solvent that dissolves both polar and nonpolar compounds and is miscible in a wide range of organic solvents as well as water. It penetrates the skin very readily, giving it the unusual property of being secreted onto the surface of the tongue after contact with the skin and causing a garlic-like taste in the mouth. |
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CAS Number | 67-68-5 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C2H6OS |
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IUPAC name | methanesulfinylmethane |
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InChI Identifier | InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 |
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InChI Key | IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
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Isomeric SMILES | CS(C)=O |
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Average Molecular Weight | 78.133 |
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Monoisotopic Molecular Weight | 78.013935504 |
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Classification |
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Description | Belongs to the class of organic compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). |
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Kingdom | Organic compounds |
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Super Class | Organosulfur compounds |
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Class | Sulfoxides |
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Sub Class | Not Available |
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Direct Parent | Sulfoxides |
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Alternative Parents | |
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Substituents | - Sulfoxide
- Sulfinyl compound
- Organic oxygen compound
- Organic oxide
- 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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Disposition | Source: Route of exposure: Biological location: |
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Role | Biological role: Industrial application: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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EI-MS | Mass Spectrum (Electron Ionization) | splash10-03fr-9000000000-1db858034b22d1646592 | 2014-09-20 | View Spectrum | GC-MS | Dimethyl sulfoxide, non-derivatized, GC-MS Spectrum | splash10-03fr-9000000000-f0f118841efd8b3297a3 | Spectrum | GC-MS | Dimethyl sulfoxide, non-derivatized, GC-MS Spectrum | splash10-03fs-9000000000-945240052686ea267e2b | Spectrum | GC-MS | Dimethyl sulfoxide, non-derivatized, GC-MS Spectrum | splash10-03fs-9000000000-378b716bc39417224511 | Spectrum | GC-MS | Dimethyl sulfoxide, non-derivatized, GC-MS Spectrum | splash10-03fr-9000000000-f0f118841efd8b3297a3 | Spectrum | GC-MS | Dimethyl sulfoxide, non-derivatized, GC-MS Spectrum | splash10-03fs-9000000000-945240052686ea267e2b | Spectrum | GC-MS | Dimethyl sulfoxide, non-derivatized, GC-MS Spectrum | splash10-03fs-9000000000-378b716bc39417224511 | Spectrum | Predicted GC-MS | Dimethyl sulfoxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01t9-9000000000-a87469bb1afda1828bbe | Spectrum | Predicted GC-MS | Dimethyl sulfoxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - 30V, Positive | splash10-0002-9000000000-b96781268f9bbbcb1544 | 2021-09-20 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 10V, Positive | splash10-004i-9000000000-16f85b2cb3628d8d9358 | 2021-09-20 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-03dj-9000000000-c11b31839f52d556db57 | 2021-09-20 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 0V, Positive | splash10-004i-9000000000-6fd68fb341597894c9e9 | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-9000000000-c8f7a9f09c8bb456283c | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-9000000000-d8d98568ae59afba65e6 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9000000000-e0a36c290f004f302f0b | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-9000000000-89687ba96456a97fb486 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01t9-9000000000-04ddc1322b21e4817d57 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-d90c2fed7aad139b406c | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-9000000000-50c596e219854897fad2 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-50c596e219854897fad2 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0bt9-9000000000-102e2e8c382c8f4c1975 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-9000000000-28072bae45639cb50943 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9000000000-670c7176bed65aef23f5 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9000000000-9ae0f01cd17306d4ecf0 | 2021-09-24 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 15.09 MHz, CDCl3, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum |
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External Links |
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ChemSpider ID | 659 |
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ChEMBL ID | CHEMBL504 |
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KEGG Compound ID | C11143 |
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Pubchem Compound ID | 679 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 28262 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB01093 |
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HMDB ID | HMDB02151 |
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CRC / DFC (Dictionary of Food Compounds) ID | BGW91-G:BGW91-G |
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EAFUS ID | 1034 |
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Dr. Duke ID | DIMETHYL-SULFOXIDE |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | DMS |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | 67-68-5 |
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GoodScent ID | rw1108491 |
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SuperScent ID | Not Available |
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Wikipedia ID | Dimethyl_sulfoxide |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | |
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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