| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:06 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4S2 |
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| Molecular Mass | 263.0286 |
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| SMILES | O=C(O)CCC1SCC2SCC(C(=O)O)N12 |
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| InChI Key | MMAKDFVQPKTCIL-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 acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthia fatty acidsthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidazacycledialkylthioetheraliphatic heteropolycyclic compoundorganic oxidethia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidhemithioaminaldicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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