| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:51 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO4S2 |
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| Molecular Mass | 222.9973 |
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| SMILES | O=C(O)C1CCC2CSS(=O)(=O)N21 |
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| InChI Key | KKQLFWSLOYZBKH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidazacyclealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compound |
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