| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:32:38 UTC |
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| Update Date | 2025-03-21 19:21:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00279913 |
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| Frequency | 7.2 |
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| Structure | |
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| Chemical Formula | C5H11NOS |
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| Molecular Mass | 133.0561 |
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| SMILES | CC(C)C(N)C(=O)S |
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| InChI Key | UIVBFOGEBSZGPM-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 | amino acids, peptides, and analogues |
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| Direct Parent | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbodithioic acidscarbonyl compoundscarbothioic s-acidscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupvaline or derivativescarbodithioic acidorganosulfur compoundcarbothioic s-acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactonealkylthiolorganooxygen compound |
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