| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:40 UTC |
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| Update Date | 2025-03-21 18:38:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121584 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C6H7NO4S |
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| Molecular Mass | 189.0096 |
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| SMILES | O=C(O)CCC1NC(=O)SC1=O |
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| InChI Key | UECOZFWHGSHAFN-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolidinedionesthiazolidinesthiocarboxylic acids and derivativesthiolactones |
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| Substituents | thiocarboxylic acid or derivativescarbonyl groupcarbonic acid derivativecarboxylic acidazacyclethiazolidinedioneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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