| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:15 UTC |
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| Update Date | 2025-03-25 00:55:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H9NO5S |
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| Molecular Mass | 183.0201 |
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| SMILES | COC(=O)C(C)NS(=O)(=O)O |
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| InChI Key | JKAFNJYSSZDEMZ-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 acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoamides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic sulfuric acid or derivativesalpha-amino acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidsulfuric acid monoamideorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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