| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 13:13:00 UTC |
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| Update Date | 2025-03-24 21:58:24 UTC |
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| HMDB ID | HMDB0302370 |
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| Metabolite Identification |
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| DeepMet ID | DMID01950010 |
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| Name | 4-(Methylthio)-butanonitrile |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H9NS |
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| Molecular Mass | 115.0456 |
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| SMILES | CSCCCC#N |
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| InChI Key | JPWPMBYFDCHLKL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | organic cyanides |
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| Direct Parent | nitriles |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundnitrilesulfenyl compoundthioetherdialkylthioetherorganopnictogen compoundhydrocarbon derivativeorganosulfur compoundcarbonitrile |
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