| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:36 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O4S2 |
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| Molecular Mass | 264.049 |
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| SMILES | O=C(O)CC(CCCC1CCSS1)C(=O)O |
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| InChI Key | JBAQLAUTAOJEKF-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-dithiolanesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic disulfidesorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativebranched fatty acid1,2-dithiolaneorganic oxideorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidlipoic_acid_derivativeorganooxygen compound |
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