| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:18 UTC |
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| Update Date | 2025-03-21 17:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018201 |
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| Frequency | 228.3 |
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| Structure | |
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| Chemical Formula | C8H12N2O5S |
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| Molecular Mass | 248.0467 |
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| SMILES | Cc1ncc(COS(=O)(=O)O)c(CN)c1O |
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| InChI Key | JKMLBDFWZSDXPD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridoxamines |
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| Direct Parent | pyridoxamine 5'-phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridoxamine 5'-phosphateorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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