| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:18 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233993 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO6S2 |
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| Molecular Mass | 242.9871 |
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| SMILES | O=C(O)CSCCC(O)=NS(=O)(=O)O |
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| InChI Key | XOHSXHAKNUWDQC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | organic sulfuric acids and derivatives |
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| Direct Parent | organic sulfuric acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic sulfuric acid or derivativessulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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