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Identification |
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YMDB ID | YMDB01663 |
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Name | Cyclotene |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | 2-Hydroxy-3-methyl-2-cyclopenten-1-one belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. 2-Hydroxy-3-methyl-2-cyclopenten-1-one is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Hydroxy-3-methyl-2-cyclopenten-1-one may be a unique S. cerevisiae (yeast) metabolite. |
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Structure | |
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Synonyms | - 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-
- 2-Hydroxy-1-methylcyclopenten-3-one
- 2-Hydroxy-3-methyl-2-cyclopenten-1-one
- 2-Hydroxy-3-methyl-2-cyclopenten-1-one (Cyclotene)
- 2-hydroxy-3-methyl-2-cyclopenten1-one (cycloten)
- 2-Hydroxy-3-methyl-2-cyclopentene-1-one(cyclotene)
- 2-hydroxy-3-methyl-2-cyclopentenone
- 2-Hydroxy-3-methylcyclopent-2-en-1-one
- 2-hydroxy-3-methylcyclopent-2-enone
- 2-Hydroxy-3-methylcyclopentenone
- 3-Methyl-1,2-cyclopentanedione (cyclotene)
- Corylon
- Corylone
- Cycloten
- Maple lactone
- Methylcyclopentenolone
- Cyclotene
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CAS number | 80-71-7 |
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Weight | Average: 112.1265 Monoisotopic: 112.0524295 |
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InChI Key | CFAKWWQIUFSQFU-UHFFFAOYSA-N |
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InChI | InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3 |
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IUPAC Name | 2-hydroxy-3-methylcyclopent-2-en-1-one |
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Traditional IUPAC Name | cyclotene |
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Chemical Formula | C6H8O2 |
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SMILES | CC1=C(O)C(=O)CC1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbonyl compounds |
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Direct Parent | Cyclic ketones |
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Alternative Parents | |
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Substituents | - Cyclic ketone
- Enol
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | 106.5 °C |
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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 | splash10-0a4i-9000000000-a5794263e8fc3b77a0da | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-2900000000-443c9e416dd135f377f8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9600000000-ff69e503b03cae6a7800 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0zfr-9000000000-3d372ea8b42cf1712eca | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0900000000-927a6165f31587a98747 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-3900000000-a9c6bddefe3fe4bc5396 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f6x-9000000000-dc99abf78fed8af7f6dd | JSpectraViewer | MS | Mass Spectrum (Electron Ionization) | splash10-03di-9300000000-bb5ced3db053bc297e39 | JSpectraViewer | MoNA |
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References |
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References: | Not Available |
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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 | Not Available | Pubchem Compound ID | 6660 | Kegg ID | Not Available | ChemSpider ID | 6408 | FOODB ID | FDB008103 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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