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Identification |
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YMDB ID | YMDB01443 |
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Name | 2-methyl-3-furanthiol |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | 2-Methyl-3-furanthiol belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-Methyl-3-furanthiol exists in all eukaryotes, ranging from yeast to plants to humans. Based on a literature review very few articles have been published on 2-Methyl-3-furanthiol. |
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Structure | |
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Synonyms | - 2-methyl-3-mercaptofuran
- 2-methyl-3-sulfanylfuran
- 2-methyl, 3-furanethiol
- 2-methylfuran-3-thiol
- 3-Furanthiol, 2-methyl-
- Furan-3-thiol, 2-methyl
- 2-Methyl-3-furylmercaptan
- 2-Methyl-3-furylthiol
- 2-Methyl-furan-3-thiol
- 3-mercapto-2-Methylfuran
- FEMA 3188
- 2-Furanmethanethiol
- 2-Methyl-3-furanthiol
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CAS number | 28588-74-1 |
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Weight | Average: 114.166 Monoisotopic: 114.013935504 |
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InChI Key | RUYNUXHHUVUINQ-UHFFFAOYSA-N |
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InChI | InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3 |
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IUPAC Name | 2-methylfuran-3-thiol |
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Traditional IUPAC Name | 2-methyl-3-furanthiol |
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Chemical Formula | C5H6OS |
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SMILES | CC1=C(S)C=CO1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Heteroaromatic compounds |
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Sub Class | Not Available |
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Direct Parent | Heteroaromatic compounds |
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Alternative Parents | |
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Substituents | - Heteroaromatic compound
- Furan
- Oxacycle
- Arylthiol
- Organic oxygen compound
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | Not Available |
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Organoleptic Properties | |
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SMPDB Pathways | Not Available |
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KEGG Pathways | Not Available |
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SMPDB Reactions | Not Available |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-03di-9600000000-eccb55d5343e9c251658 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0900000000-cd0db8f4690a0cc11614 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-08fr-7900000000-ebb00308f629a9e58257 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-053r-9000000000-0314ed33cb070beceefa | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-044l-9200000000-34b37cae372dfad651a6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03kc-9500000000-a3eca7df180979578f43 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00kf-9000000000-81e138901f91b42f8616 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0900000000-6ce4be2b10a4be6f4253 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-3900000000-5a003d9707e021305d2c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05fr-9000000000-0c6649e525494449ad3a | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-5900000000-8a1ec50dfa0a8946063c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00lr-9100000000-ee4bec6396e98bfb7203 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fdo-9000000000-4105861bf2311ffad545 | JSpectraViewer |
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References |
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References: | - Mahadevan, K., Farmer, L. (2006). "Key odor impact compounds in three yeast extract pastes." J Agric Food Chem 54:7242-7250.16968089
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | Not Available | HMDB ID | HMDB0036611 | Pubchem Compound ID | 34286 | Kegg ID | Not Available | ChemSpider ID | 31587 | FOODB ID | FDB015527 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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