| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:44 UTC |
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| Update Date | 2025-03-25 00:55:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO2S |
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| Molecular Mass | 201.0824 |
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| SMILES | CC=CCCCC(O)=NCC(O)=S |
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| InChI Key | FDUYLADIOLKKHR-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 | carbodithioic acids |
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| Subclass | carbodithioic acids |
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| Direct Parent | carbodithioic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic o-acidscarboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiocarbonyl compoundsthiocarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarboximidic acidcarbonyl groupthiocarbonyl groupcarbodithioic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundcarbothioic o-acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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