| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:41 UTC |
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| Update Date | 2025-03-21 18:31:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087666 |
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| Frequency | 32.4 |
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| Structure | |
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| Chemical Formula | C3H5NOS |
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| Molecular Mass | 103.0092 |
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| SMILES | CS(=O)CC#N |
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| InChI Key | PDYQATNUIZPQSW-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 | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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