| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:59 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155810 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N5O7S2 |
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| Molecular Mass | 421.0726 |
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| SMILES | CSCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1OS(=O)(=O)O |
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| InChI Key | GDADEGAHAKMQJG-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 | alkyl sulfatesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestermonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazolealkyl sulfateorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholorganic sulfuric acid or derivativessulfenyl compoundazacycletetrahydrofurandialkylthioetherpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundthioethersecondary alcoholsulfate-esterhydrocarbon derivativepurineorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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