| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:15 UTC |
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| Update Date | 2025-03-21 18:39:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125251 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C11H19NO6S |
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| Molecular Mass | 293.0933 |
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| SMILES | NC(CSC1CC(O)C=CC1(O)C(O)CO)C(=O)O |
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| InChI Key | CJIXATJUNYCOJD-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 acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholsulfenyl compounddialkylthioethertertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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