| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:35 UTC |
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| Update Date | 2025-03-21 18:32:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089771 |
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| Frequency | 31.4 |
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| Structure | |
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| Chemical Formula | C12H12N2O7 |
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| Molecular Mass | 296.0645 |
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| SMILES | O=C(O)CCC(NC(=O)c1cccc(C(=O)O)n1)C(=O)O |
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| InChI Key | ZMIBDAJHUWAXSL-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-halopyridines2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivatives2-heteroaryl carboxamideorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridineglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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