| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:49 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3S2 |
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| Molecular Mass | 289.0806 |
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| SMILES | O=C(O)C1CCN1C(=O)CCCCC1CCSS1 |
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| InChI Key | UDIWVHNQYBDCFI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dithiolanes |
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| Subclass | lipoamides |
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| Direct Parent | lipoamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidazetidinecarboxylic acidalpha-amino acid or derivativescarboxylic acid derivative1,2-dithiolaneorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacyclecarboxamide groupazetidinemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidelipoamidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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