| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:36 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N5O6 |
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| Molecular Mass | 307.0553 |
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| SMILES | O=C(O)CC(NC(=O)c1cnc2ncnc(O)c2n1)C(=O)O |
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| InChI Key | LHJCZYFCSMUUBU-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-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspteridines and derivativespyrazinecarboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidhydroxypyrimidinepteridine2-heteroaryl carboxamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespyrazinecarboxamideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrazineaspartic acid or derivativesdicarboxylic acid or derivativespyrazine carboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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