| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:04 UTC |
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| Update Date | 2025-03-21 18:04:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050655 |
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| Frequency | 64.7 |
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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(ncn2C2CC(O)C(O)O2)c(=O)[nH]1 |
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| InChI Key | ZDCQLIWZVYWCCS-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 | azacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhemiacetalazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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