| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:25 UTC |
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| Update Date | 2025-03-21 18:04:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051467 |
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| Frequency | 63.5 |
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| Structure | |
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| Chemical Formula | C16H21N5O6 |
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| Molecular Mass | 379.1492 |
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| SMILES | NC(CCCCn1cccc2nc(NC(CC(=O)O)C(=O)O)nc1-2)C(=O)O |
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| InChI Key | LQTKPVBTXKDOGH-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 derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesorganic 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 derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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