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| Identification |
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| YMDB ID | YMDB01460 |
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| Name | 2-furfurylmethylsulfide |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | 2-furfurylmethylsulfide 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-furfurylmethylsulfide is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-furfurylmethylsulfide may be a unique S. cerevisiae (yeast) metabolite. |
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| Structure | |
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| Synonyms | - 2-[(Methylsulfanyl)methyl]furan
- 2-[(Methylthio)-methyl]-furan
- 2-Furfuryl methyl sulphide
- Furfuryl methyl sulfide
- 2-Furfurylmethylsulphide
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| CAS number | 1438-91-1 |
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| Weight | Average: 128.192
Monoisotopic: 128.029585568 |
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| InChI Key | KVGFSMLVDUBJEW-UHFFFAOYSA-N |
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| InChI | InChI=1S/C6H8OS/c8-5-3-6-2-1-4-7-6/h1-2,4,8H,3,5H2 |
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| IUPAC Name | 2-(furan-2-yl)ethane-1-thiol |
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| Traditional IUPAC Name | 2-(furan-2-yl)ethanethiol |
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| Chemical Formula | C6H8OS |
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| SMILES | SCCC1=CC=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
- Alkylthiol
- 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 | 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 | 20065746 | | Kegg ID | Not Available | | ChemSpider ID | 14561263 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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