| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:17 UTC |
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| Update Date | 2025-03-25 00:45:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO6S2 |
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| Molecular Mass | 242.9871 |
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| SMILES | NC(CCC(=S)OS(=O)(=O)O)C(=O)O |
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| InChI Key | PRAXVOKMIYLHMI-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 compoundsshort-chain hydroxy acids and derivativessulfuric acid monoestersthiocarbonyl compoundsthiocarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativessulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesshort-chain hydroxy acidthiocarbonyl groupfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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