| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:25 UTC |
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| Update Date | 2025-03-21 18:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034721 |
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| Frequency | 103.3 |
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| Structure | |
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| Chemical Formula | C12H18N6O3S |
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| Molecular Mass | 326.1161 |
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| SMILES | NCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
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| InChI Key | APAPOJUCRZTCHD-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-diolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkylaminesmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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