| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181028 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N4O6 |
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| Molecular Mass | 308.0757 |
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| SMILES | O=C(O)CC(Nc1nc2cccn(CC(=O)O)c-2n1)C(=O)O |
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| InChI Key | LTIMKQFFNIAULA-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridinetricarboxylic acid or derivativesimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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