| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N4O6 |
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| Molecular Mass | 294.06 |
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| SMILES | O=C(O)CC(Nc1ncnc2[nH]cc(C(=O)O)c12)C(=O)O |
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| InChI Key | WMIITEYEOFUIJZ-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 | 1-carboxy-2-haloaromatic compoundsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrimidinecarboxylic acidspyrimidines and pyrimidine derivativespyrrole carboxylic acidspyrrolo[2,3-d]pyrimidinessecondary alkylarylaminestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpyrrole-3-carboxylic acid or derivativesamino acidtricarboxylic acid or derivativespyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundpyrimidine-5-carboxylic acidsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundpyrroleaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compoundamine |
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