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| Identification |
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| YMDB ID | YMDB01456 |
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| Name | cis-3,5-Dimethyl-1,2,4-trithiolane |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | cis-3,5-Dimethyl-1,2,4-trithiolane belongs to the class of organic compounds known as trithiolanes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and two carbon atoms. cis-3,5-Dimethyl-1,2,4-trithiolane is possibly neutral. cis-3,5-Dimethyl-1,2,4-trithiolane may be a unique S. cerevisiae (yeast) metabolite. |
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| Structure | |
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| Synonyms | - 1,3-Dithiolane, 2-methyl-
- 2-Methyl-1,3-dithiolane
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| CAS number | 5616-51-3 |
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| Weight | Average: 152.301
Monoisotopic: 151.978812326 |
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| InChI Key | HFRUNLRFNNTTPQ-ZXZARUISSA-N |
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| InChI | InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3/t3-,4+ |
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| IUPAC Name | (3R,5S)-3,5-dimethyl-1,2,4-trithiolane |
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| Traditional IUPAC Name | (3R,5S)-3,5-dimethyl-1,2,4-trithiolane |
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| Chemical Formula | C4H8S3 |
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| SMILES | [H]C([H])([H])[C@@]1([H])SS[C@]([H])(S1)C([H])([H])[H] |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as trithiolanes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and two carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Trithiolanes |
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| Sub Class | Not Available |
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| Direct Parent | Trithiolanes |
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| Alternative Parents | |
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| Substituents | - Trithiolane
- Organic disulfide
- Dialkylthioether
- Thioether
- Hydrocarbon derivative
- 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 | 21828 | | Kegg ID | Not Available | | ChemSpider ID | 4933290 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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