| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:42 UTC |
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| Update Date | 2025-03-21 18:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056712 |
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| Frequency | 56.1 |
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| Structure | |
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| Chemical Formula | C12H17N5O3S |
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| Molecular Mass | 311.1052 |
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| SMILES | COC1C(O)C(CSC)OC1n1cnc2c(N)ncnc21 |
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| InChI Key | VIPXIBAPRXFNBJ-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 | 5'-deoxyribonucleosides |
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| Subclass | 5'-deoxy-5'-thionucleosides |
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| Direct Parent | 5'-s-alkylthio-5'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethersdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | ethermonosaccharideimidazopyrimidineorganosulfur compounddialkyl etherpyrimidinesaccharide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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