| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:49 UTC |
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| Update Date | 2025-03-21 18:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061788 |
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| Frequency | 50.3 |
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| Structure | |
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| Chemical Formula | C12H17N5O7S |
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| Molecular Mass | 375.0849 |
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| SMILES | O=S(=O)(O)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O |
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| InChI Key | FKBZMXMYVAMNPS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfonylstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidmonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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