| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:24 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21NO2S2 |
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| Molecular Mass | 263.1014 |
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| SMILES | NCCCC1CSSC1CCCCC(=O)O |
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| InChI Key | DQGBUSFSNGSBOT-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 acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivative1,2-dithiolaneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundlipoic_acid_derivativeorganooxygen compound |
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