| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:42 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121639 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C12H20N2O6S |
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| Molecular Mass | 320.1042 |
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| SMILES | NC(CSC1CC(O)C=CC1(O)CC(N)C(=O)O)C(=O)O |
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| InChI Key | AHLVRUHOTSPEIE-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundtertiary alcoholorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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