| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:00 UTC |
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| Update Date | 2025-03-21 18:32:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093211 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C8H14O3S2 |
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| Molecular Mass | 222.0384 |
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| SMILES | O=C(O)C(O)CCCC1CCSS1 |
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| InChI Key | MGADMGNMCAFPJF-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-dithiolanesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic disulfidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acid1,2-dithiolanesaccharideorganic oxidealiphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidesecondary alcoholhydrocarbon derivativelipoic_acid_derivativeorganooxygen compound |
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