| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:28 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5N3O3 |
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| Molecular Mass | 167.0331 |
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| SMILES | O=C(O)C1Nc2nc[nH]c2C1=O |
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| InChI Key | CZEXJDDGYUAUDR-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 | 1,3-dicarbonyl compoundsamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneamino acidketoneorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundaminearyl ketone |
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