| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:56 UTC |
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| Update Date | 2025-03-21 17:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017393 |
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| Frequency | 242.9 |
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| Structure | |
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| Chemical Formula | C5H9NO2S2 |
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| Molecular Mass | 179.0075 |
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| SMILES | O=S(O)CCCCN=C=S |
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| InChI Key | GRZRDUHTNFUODS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | sulfinic acids and derivatives |
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| Subclass | sulfinic acids |
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| Direct Parent | sulfinic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanesulfinic acids and derivativeshydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundorganosulfur compoundsulfinic acidpropargyl-type 1,3-dipolar organic compoundalkanesulfinic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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