| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:06 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5NO2S |
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| Molecular Mass | 131.0041 |
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| SMILES | CS(=O)CC(=O)C#N |
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| InChI Key | QDMKMPDZJXJJHT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | sulfoxides |
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| Subclass | sulfoxides |
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| Direct Parent | sulfoxides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cyanideshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrileketoneorganic oxideorganic oxygen compoundsulfinyl compoundacyl cyanideorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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