| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:38 UTC |
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| Update Date | 2025-03-21 18:28:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073252 |
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| Frequency | 40.7 |
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| Structure | |
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| Chemical Formula | C5H9NO6S |
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| Molecular Mass | 211.0151 |
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| SMILES | NC(CCC(=O)S(=O)(=O)O)C(=O)O |
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| InChI Key | CLCJEMJURJKOSV-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 | acylsulfonic acidscarbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonic acids and derivativesorganonitrogen compoundsorganopnictogen compoundssulfonylsthiolactones |
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| Substituents | acylsulfonic acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidacylsulfonic acid or derivativesfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
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