| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:38 UTC |
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| Update Date | 2025-03-25 00:55:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214398 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H11NO3S2 |
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| Molecular Mass | 209.018 |
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| SMILES | CCOS(=O)(=O)CCCN=C=S |
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| InChI Key | BYXBHXZZMQDBFU-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 sulfonic acids and derivatives |
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| Subclass | sulfonic acid esters |
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| Direct Parent | sulfonic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativesisothiocyanateorganic 1,3-dipolar compoundorganosulfur compoundorganosulfonic acid esterpropargyl-type 1,3-dipolar organic compoundsulfonic acid esterorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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