| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:52 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21N5O4S |
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| Molecular Mass | 403.1314 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CSCc2ccccc2)C(O)C(O)C1O |
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| InChI Key | WNXFQXMHBHZUFG-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 compoundsbenzene and substituted derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compounds |
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| Substituents | monocyclic benzene moietymonosaccharideorganosulfur compoundpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamazolen-substituted imidazolealcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativebenzenoidprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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