| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:18 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183710 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5NO7S2 |
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| Molecular Mass | 254.9507 |
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| SMILES | O=C1SCC(C(=O)O)N=C1OS(=O)(=O)O |
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| InChI Key | XJNMDUJYZKFFMN-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarbothioic s-lactonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid monoestersthioestersthiolactones |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundcarbothioic s-lactonethiocarboxylic acid or derivativesorganic sulfuric acid or derivativesazacyclethiocarboxylic acid esterorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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