| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162780 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H9NO9S2 |
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| Molecular Mass | 278.9719 |
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| SMILES | O=C(NCCS(=O)(=O)O)OCOS(=O)(=O)O |
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| InChI Key | VSAXNSBDSSGIDU-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 | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatescarbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativessulfuric acid monoestercarbonyl groupcarbonic acid derivativeorganosulfonic acidcarbamic acid esterorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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