Showing metabocard for 2-methyltetrahydrothiophen-3-one (MMDBc0033490)
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-11-19 04:50:49 UTC | ||||||||||||
| Update Date | 2024-10-09 18:04:17 UTC | ||||||||||||
| Metabolite ID | MMDBc0033490 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | 2-methyltetrahydrothiophen-3-one | ||||||||||||
| Description | xI-Dihydro-2-methyl-3(2H)-thiophenone, also known as 2-methyltetrahydrothiophen-3-one, and 2-methylthiolan-3-one, is a member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively. It has a role as a flavouring agent and as a metabolite. It is a member of tetrahydrothiophenes and a cyclic ketone. It derives from a hydride of a tetrahydrothiophene. xI-Dihydro-2-methyl-3(2H)-thiophenone is a berry-like, cabbage-like, and fruity-like tasting compound. | ||||||||||||
| Structure |  | ||||||||||||
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| Molecular Formula | C5H8OS | ||||||||||||
| Average Mass | 116.181 | ||||||||||||
| Monoisotopic Mass | 116.029585568 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | 13679-85-1 | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 | ||||||||||||
| InChI Key | YMZZPMVKABUEBL-UHFFFAOYSA-N | ||||||||||||
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| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| 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 | Not Available | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 87506 | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||
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