| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:47:41 UTC |
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| Update Date | 2025-03-21 18:01:27 UTC |
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| HMDB ID | HMDB0031717 |
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| Metabolite Identification |
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| DeepMet ID | DMID00032971 |
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| Name | 3-(Methylthio)propyl acetate |
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| Frequency | 110.4 |
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| Structure | |
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| Chemical Formula | C6H12O2S |
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| Molecular Mass | 148.0558 |
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| SMILES | CSCCCOC(C)=O |
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| InChI Key | LPZQTNIAYMRVMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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