| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:20 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250145 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N5O5S2 |
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| Molecular Mass | 403.0984 |
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| SMILES | CSCCNc1nc(S(C)(=O)=O)nc2c1ncn2C1CC(O)C(CO)O1 |
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| InChI Key | MOCYBRUOYZWDQW-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 2'-deoxyribonucleosides |
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| Direct Parent | purine 2'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundssulfonestetrahydrofurans |
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| Substituents | monosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactampurine 2'-deoxyribonucleosideorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclesulfonylorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundaminesulfone |
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