| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:04 UTC |
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| Update Date | 2025-03-21 18:39:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124791 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C12H16N6O4S |
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| Molecular Mass | 340.0954 |
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| SMILES | NC(=O)CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
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| InChI Key | LBYTTYUTRYZKIJ-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-diolsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminesprimary carboxylic acid amidespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativesmonosaccharideimidazopyrimidineorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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