| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:15 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224976 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O4 |
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| Molecular Mass | 253.0811 |
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| SMILES | Nc1nc2c(ncn2C(CCO)C(=O)O)c(=O)[nH]1 |
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| InChI Key | XFOAFQIRBJWQJS-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidonesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolealcoholvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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