| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:22 UTC |
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| Update Date | 2025-03-21 18:37:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113673 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C8H9N5O3 |
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| Molecular Mass | 223.0705 |
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| SMILES | CC(Nc1nc(=O)c2[nH]cnc2[nH]1)C(=O)O |
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| InChI Key | YCCGSWHBNBAHIT-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidoneimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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