| Identification |
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| YMDB ID | YMDB01454 |
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| Name | trans-3,5-Dimethyl-1,2-dithiolan-4-one |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | trans-3,5-Dimethyl-1,2-dithiolan-4-one belongs to the class of organic compounds known as 1,2-dithiolanes. These are organic compounds containing a 1,2-dithiolane ring. 1,2-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 2- ring positions. trans-3,5-Dimethyl-1,2-dithiolan-4-one is an extremely weak basic (essentially neutral) compound (based on its pKa). trans-3,5-Dimethyl-1,2-dithiolan-4-one may be a unique S. cerevisiae (yeast) metabolite. |
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| Structure | |
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| Synonyms | Not Available |
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| CAS number | Not Available |
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| Weight | Average: 148.246
Monoisotopic: 148.001656258 |
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| InChI Key | DYTKSLFUSUKZJN-UHFFFAOYSA-N |
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| InChI | InChI=1S/C5H8OS2/c1-3-5(6)4(2)8-7-3/h3-4H,1-2H3 |
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| IUPAC Name | 3,5-dimethyl-1,2-dithiolan-4-one |
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| Traditional IUPAC Name | 3,5-dimethyl-1,2-dithiolan-4-one |
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| Chemical Formula | C5H8OS2 |
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| SMILES | [H]C([H])([H])C1([H])SSC([H])(C1=O)C([H])([H])[H] |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,2-dithiolanes. These are organic compounds containing a 1,2-dithiolane ring. 1,2-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 2- ring positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Dithiolanes |
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| Sub Class | 1,2-dithiolanes |
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| Direct Parent | 1,2-dithiolanes |
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| Alternative Parents | |
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| Substituents | - 1,2-dithiolane
- Cyclic ketone
- Organic disulfide
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic 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 | Not Available |
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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 | |
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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 | Not Available | | Pubchem Compound ID | 526930 | | Kegg ID | Not Available | | ChemSpider ID | 459330 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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