| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:15 UTC |
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| Update Date | 2025-03-21 18:06:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062746 |
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| Frequency | 49.4 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S2 |
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| Molecular Mass | 294.0344 |
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| SMILES | O=C(O)CCCCC1C2NC(=O)NC2SS1(=O)=O |
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| InChI Key | SBZKWWPKDVGPLL-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-dithiolanesazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | imidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivative1,2-dithiolanealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarbonic acid derivativeazacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundlipoic_acid_derivativeorganooxygen compound |
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