| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:04 UTC |
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| Update Date | 2025-03-21 17:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013324 |
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| Frequency | 336.5 |
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| Structure | |
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| Chemical Formula | C6H13NO3S |
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| Molecular Mass | 179.0616 |
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| SMILES | CC(=O)NCCCS(C)(=O)=O |
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| InChI Key | BOKFRAWVBQDUMO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | sulfonyls |
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| Subclass | sulfones |
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| Direct Parent | sulfones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundsulfone |
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