| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:35 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O6 |
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| Molecular Mass | 268.0695 |
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| SMILES | O=C(O)CCC(Nc1ncccc1C(=O)O)C(=O)O |
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| InChI Key | XADMAHSICVRGFB-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsorganic oxidesorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidssecondary alkylarylaminestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyridine-3-carboxylic acidpolyhalopyridinetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridineglutamic acid or derivativessecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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