| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:08 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 | DMID02162722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5NO3S2 |
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| Molecular Mass | 178.9711 |
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| SMILES | O=C(CCN=C=S)S(=O)O |
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| InChI Key | HCTKOMJLNFNMHH-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 | sulfinic acids and derivatives |
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| Subclass | sulfinic acids |
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| Direct Parent | sulfinic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiolactones |
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| Substituents | aliphatic acyclic compoundisothiocyanatecarbonyl grouporganic 1,3-dipolar compoundorganosulfur compoundcarboxylic acid derivativesulfinic acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganooxygen compound |
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