| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:13 UTC |
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| Update Date | 2025-03-21 18:33:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096135 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C5H9NO5S |
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| Molecular Mass | 195.0201 |
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| SMILES | NC(CCC(=O)S(=O)O)C(=O)O |
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| InChI Key | UKYNRSRCKIIYHL-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssulfinic acidsthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativefatty acidorganosulfur compoundsulfinic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
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