| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:07 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N6O3S |
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| Molecular Mass | 402.1474 |
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| SMILES | Cc1cc(CSCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cnc1C |
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| InChI Key | ROJWQGCBBYOZJH-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 | 1,2-diols2-halopyridinesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | polyhalopyridinemonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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