| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:18 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186017 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO3S |
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| Molecular Mass | 187.0303 |
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| SMILES | O=C(CS)C(=O)C1CCC(O)=N1 |
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| InChI Key | RUJRCIFPQBMUDR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-diketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsazacyclic compoundscyclic carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundspyrrolines |
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| Substituents | azacycleorganic 1,3-dipolar compoundorganosulfur compoundalpha-diketonepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidalkylthiolorganoheterocyclic compound |
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