| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:47 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N5O4 |
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| Molecular Mass | 279.0968 |
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| SMILES | Nc1nc2ncc(C(O)CC(N)C(=O)O)cc2c(=O)[nH]1 |
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| InChI Key | NHFQBWIPJHRDCT-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinespyrido[2,3-d]pyrimidinespyrimidonessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl grouplactamcarboxylic acidamino acidpolyhalopyridinepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidpyridopyrimidineorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinesecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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