| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:45:33 UTC |
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| Update Date | 2025-03-24 21:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01885490 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H7NO2S |
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| Molecular Mass | 133.0197 |
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| SMILES | CC(C#N)S(C)(=O)=O |
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| InChI Key | ATLQGSIGVHOJKS-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 | sulfonyls |
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| Subclass | sulfones |
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| Direct Parent | sulfones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilesulfone |
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