| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:42 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150423 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O9S2 |
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| Molecular Mass | 355.9984 |
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| SMILES | NC(CSCC(=O)C1NC(=O)C(O)=C1OS(=O)(=O)O)C(=O)O |
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| InChI Key | DLAGGKQRZWYQMV-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketoneslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amidessulfenyl compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidorganosulfur compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundorganic sulfuric acid or derivativessulfenyl compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinethioethercysteine or derivativessulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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