| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:08 UTC |
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| Update Date | 2025-03-21 18:41:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134375 |
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| Frequency | 36.5 |
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| Structure | |
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| Chemical Formula | C6H5N5O2 |
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| Molecular Mass | 179.0443 |
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| SMILES | Nc1ncnc2nc(C(=O)O)[nH]c12 |
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| InChI Key | NDUFJLQCIHOUCP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | carboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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