| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:01 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180849 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O9S |
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| Molecular Mass | 348.0264 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(OS(=O)(=O)O)nc1)C(=O)O |
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| InChI Key | JYBFSHYVXZDXEY-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsarylsulfatesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridineglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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