Showing metabocard for 2-methyl-3-sulfanylbutan-1-ol (MMDBc0054177)
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2022-06-05 22:57:27 UTC | ||||||||||||
| Update Date | 2024-09-29 13:28:49 UTC | ||||||||||||
| Metabolite ID | MMDBc0054177 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | 2-methyl-3-sulfanylbutan-1-ol | ||||||||||||
| Description | 2-methyl-3-sulfanylbutan-1-ol belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. 2-methyl-3-sulfanylbutan-1-ol is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C5H12OS | ||||||||||||
| Average Mass | 120.21 | ||||||||||||
| Monoisotopic Mass | 120.06088618 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C5H12OS/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3 | ||||||||||||
| InChI Key | RFMHFOPFUZZBAD-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organosulfur compounds | ||||||||||||
| Class | Thiols | ||||||||||||
| Sub Class | Alkylthiols | ||||||||||||
| Direct Parent | Alkylthiols | ||||||||||||
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| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | Not Available | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 6430892 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||
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