| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:52 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO3S2 |
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| Molecular Mass | 277.0806 |
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| SMILES | NC(=O)CCC1CSSC1CCCCC(=O)O |
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| InChI Key | JBITWXWSOMVBDT-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 | lipoic acids and derivatives |
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| Direct Parent | lipoic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanescarbonyl compoundscarboxylic acidsfatty amidesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acidcarboxylic acid derivative1,2-dithiolaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidehydrocarbon derivativeorganic nitrogen compoundlipoic_acid_derivativeorganooxygen compound |
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