| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:54 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175988 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4S2 |
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| Molecular Mass | 263.0286 |
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| SMILES | NC(=O)CCCCC1SSC(C(=O)O)C1=O |
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| InChI Key | BTRDIUHFRYRUSR-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-dithiolanes1,3-dicarbonyl compoundscarboxylic acidscyclic ketonesfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidfatty amidecyclic ketonecarboxylic acid derivative1,2-dithiolaneketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidelipoamidehydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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