| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:05:53 UTC |
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| Update Date | 2025-03-24 21:55:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01933392 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H7NOS |
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| Molecular Mass | 129.0248 |
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| SMILES | CC(=O)CSCC#N |
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| InChI Key | AVPUPBDBVMKRIK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundnitrilesulfenyl compounddialkylthioetherorganosulfur compoundketoneorganic oxidethioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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