| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:01 UTC |
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| Update Date | 2025-03-21 18:34:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100515 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C8H14O4S2 |
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| Molecular Mass | 238.0334 |
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| SMILES | O=C(O)CCCCC1CCS(=O)(=O)S1 |
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| InChI Key | TVPJRPHQAZUMSD-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 acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivative1,2-dithiolaneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidlipoic_acid_derivativeorganooxygen compound |
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