| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:30 UTC |
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| Update Date | 2025-03-21 18:30:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082575 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C14H21N6O8PS |
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| Molecular Mass | 464.0879 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | CWFMZSRFNHNHOQ-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-diolsacyl monophosphatesalpha amino acidsazacyclic compoundscarbonyl compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundsphosphoethanolaminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupamino acid or derivativesmonosaccharidealpha-amino acid or derivativesimidazopyrimidineorganosulfur compoundcarboxylic acid derivativepyrimidinephosphoethanolaminesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetheracyl monophosphateheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeamineorganooxygen compoundacyl phosphate |
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