| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:06 UTC |
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| Update Date | 2025-03-21 18:31:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086341 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C12H17N5O4S |
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| Molecular Mass | 327.1001 |
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| SMILES | CSCC1OC(n2cnc3c(N)ncnc32)C(O)C(O)C1O |
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| InChI Key | FHDHRJICMFMIIK-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 | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compounds |
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| Substituents | monosaccharideorganosulfur compoundpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamazolen-substituted imidazolealcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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