| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:45 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253346 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O2S |
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| Molecular Mass | 253.0633 |
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| SMILES | Nc1nc2c(ncn2C2CC(O)CS2)c(=O)[nH]1 |
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| InChI Key | NVUGOCCHNPKKQP-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 compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidonessecondary alcoholsthiolanesvinylogous amides |
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| Substituents | thiolanelactampyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolealcoholvinylogous amideazacycledialkylthioetherheteroaromatic compoundorganic oxygen compoundthioethersecondary alcoholhypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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