| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:47:11 UTC |
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| Update Date | 2025-03-21 18:01:15 UTC |
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| HMDB ID | HMDB0031191 |
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| Metabolite Identification |
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| DeepMet ID | DMID00031762 |
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| Name | S-Methyl butanethioate |
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| Frequency | 115.6 |
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| Structure | |
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| Chemical Formula | C5H10OS |
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| Molecular Mass | 118.0452 |
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| SMILES | CCCC(=O)SC |
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| InChI Key | GRLJIIJNZJVMGP-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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