| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:10 UTC |
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| Update Date | 2025-03-21 18:32:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091165 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C5H9NO2S |
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| Molecular Mass | 147.0354 |
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| SMILES | NCCSC=CC(=O)O |
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| InChI Key | XBKXMJJWEWJOON-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 | vinylogous thioesters |
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| Subclass | vinylogous thioesters |
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| Direct Parent | vinylogous thioesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioenol ethers |
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| Substituents | vinylogous thioesteraliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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