| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:27 UTC |
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| Update Date | 2025-03-25 00:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229756 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO4S |
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| Molecular Mass | 221.0722 |
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| SMILES | CCCC(O)C(O)=NC(CS)C(=O)O |
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| InChI Key | OUTDRHQMRCIRJH-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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