| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:57 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9N5O6 |
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| Molecular Mass | 295.0553 |
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| SMILES | O=C(O)CC(NC(=O)c1cnc2[nH][nH]c(=O)c2n1)C(=O)O |
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| InChI Key | LZGFZVFHOMWERX-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 derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinecarboxamidespyrazolespyrazolo[3,4-b]pyrazinespyrazolonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acid2-heteroaryl carboxamidepyrazolo[3,4-b]pyrazinepyrazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativespyrazinecarboxamidevinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrazineaspartic acid or derivativesdicarboxylic acid or derivativespyrazine carboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundpyrazolinone |
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