| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:20 UTC |
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| Update Date | 2025-03-21 18:31:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084547 |
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| Frequency | 33.9 |
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| Structure | |
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| Chemical Formula | C5H9NO7S |
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| Molecular Mass | 227.01 |
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| SMILES | O=C(O)CNC(=O)C(O)CS(=O)(=O)O |
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| InChI Key | PXHSSOYSOQPARK-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary alcoholssecondary carboxylic acid amidessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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