| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:18:34 UTC |
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| Update Date | 2025-03-21 18:35:41 UTC |
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| HMDB ID | HMDB0039843 |
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| Metabolite Identification |
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| DeepMet ID | DMID00106851 |
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| Name | S-Methyl 3-methylthiobutyrate |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C6H12OS |
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| Molecular Mass | 132.0609 |
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| SMILES | CSC(=O)CC(C)C |
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| InChI Key | MPLWTJZAFOVXKP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl thioesters |
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| Direct Parent | fatty acyl thioesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundhydrocarbon derivativefatty acyl thioesterthiolactoneorganooxygen compound |
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