| Record Information |
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| Version | 1.0 |
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| Status | Detected and Quantified |
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| Creation Date | 2021-11-19 04:50:17 UTC |
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| Update Date | 2022-08-31 22:36:19 UTC |
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| MiMeDB ID | MMDBc0033477 |
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| Metabolite Identification |
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| Common Name | 1-(Methylthio)-3-pentanone |
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| Description | |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C6H12OS |
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| Average Molecular Weight | 132.224 |
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| Monoisotopic Molecular Weight | 132.060885696 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 66735-69-1 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C6H12OS/c1-3-6(7)4-5-8-2/h3-5H2,1-2H3 |
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| InChI Key | LEZZIANNWFYCND-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Functional Ontology |
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Not Available | | Physical Properties |
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| State | Expected Solid |
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| Predicted Properties | Not Available |
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| Spectra |
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| Not Available |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Biospecimen Locations | Not Available |
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| Tissue Locations | Not Available |
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| Associated OMIM IDs | - 114500 (Colorectal cancer)
- 610247 (Eosinophilic esophagitis)
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| Human Proteins and Enzymes |
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| Proteins | |
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| Human Pathways |
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| Pathways | |
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| Metabolic Reactions |
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| Not Available |
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| Health Effects and Bioactivity |
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| | Health Outcome/Bioactivity | Metabolite Response/Effect | Related Health Condition | Evidence Type | Measured in Matrix | Data Source | Reference | |
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| Microbial Sources |
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| | Kingdom | Phylum | Total species | Hosts and Body Sites | Microbial Links |
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| Fungi | Ascomycota | 1 | Human Feces | Unknown |
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| Exposure Sources |
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| | Source Type | Source Sub-type | Species | Data Source | Reference | Details |
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| Plant | Stem | Brassica oleracea var. gongylodes | FooDB | 31437929 | details | | Plant | | Brassica oleracea var. botrytis | FooDB | 31437929 | details |
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| Host Biospecimen and Location |
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| | Host and Biospecimen | Status | Mean | Std | Min | Max | Units | Age | Sex | Health Condition | Data Source | Reference | |
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| External Links |
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| External Links | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General References | - Mahadevan K, Farmer L: Key odor impact compounds in three yeast extract pastes. J Agric Food Chem. 2006 Sep 20;54(19):7242-50. doi: 10.1021/jf061102x. [PubMed:16968089 ]
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