Showing metabocard for 3-Methyl-1,2,4-trithiane (MMDBc0033514)
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-11-19 04:51:47 UTC | ||||||||||||
| Update Date | 2024-09-29 12:44:46 UTC | ||||||||||||
| Metabolite ID | MMDBc0033514 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | 3-Methyl-1,2,4-trithiane | ||||||||||||
| Description | 3-Methyl-1,2,4-trithiane belongs to the class of organic compounds known as trithianes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and three carbon atoms. 3-Methyl-1,2,4-trithiane has been detected, but not quantified in, fats and oils and fruits. This could make 3-methyl-1,2,4-trithiane a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3-Methyl-1,2,4-trithiane. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C4H8S3 | ||||||||||||
| Average Mass | 152.301 | ||||||||||||
| Monoisotopic Mass | 151.978812326 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | 43040-01-3 | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3 | ||||||||||||
| InChI Key | UXPUEXDAOSQIQS-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as trithianes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and three carbon atoms. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organoheterocyclic compounds | ||||||||||||
| Class | Trithianes | ||||||||||||
| Sub Class | Not Available | ||||||||||||
| Direct Parent | Trithianes | ||||||||||||
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
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| Biological Properties | |||||||||||||
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| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Metabolic Reactions | |||||||||||||
Not Available | |||||||||||||
| Health Effects and Bioactivity | |||||||||||||
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| External Links | |||||||||||||
| HMDB ID | HMDB0037290 | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | FDB016309 | ||||||||||||
| KNApSAcK ID | C00057390 | ||||||||||||
| Chemspider ID | 58781 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 65290 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| References | |||||||||||||
| Synthesis Reference | Not Available | ||||||||||||
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