| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:33:12 UTC |
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| Update Date | 2025-03-24 17:52:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00994177 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C3H5NO3S |
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| Molecular Mass | 134.999 |
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| SMILES | O=[N+]([O-])CCC(O)=S |
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| InChI Key | DWXJVISYRQHEOL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | c-nitro compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbodithioic acidscarbonyl compoundscarbothioic o-acidshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiocarbonyl compoundsthiocarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupthiocarbonyl groupcarbodithioic acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundcarbothioic o-acidc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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