| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181051 |
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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(NC(=O)c1c[nH]c2nc[nH]c(=O)c12)C(=O)O |
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| InChI Key | QPANJGFEIZLLDC-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonespyrrole carboxamidespyrrolo[2,3-d]pyrimidinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrrole-3-carboxylic acid or derivativespyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundpyrimidine-5-carboxylic acidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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