| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:33 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11N5O3 |
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| Molecular Mass | 249.0862 |
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| SMILES | CC(Nc1ccnc2c(=O)[nH]c(N)nc12)C(=O)O |
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| InChI Key | YTWADIQEDJUZOH-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 | alanine 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 derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyridopyrimidinespyrimidonessecondary alkylarylamines |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpolyhalopyridinepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidpyridopyrimidineorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundalanine or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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