| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:02 UTC |
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| Update Date | 2025-03-25 00:49:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO3S |
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| Molecular Mass | 191.0616 |
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| SMILES | NC(CSCC1(O)CC1)C(=O)O |
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| InChI Key | WCHFAVBYXBSSPZ-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 acidscyclic alcohols and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminecyclopropanolorganic nitrogen compoundorganooxygen compound |
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