| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:00 UTC |
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| Update Date | 2025-03-21 17:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024275 |
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| Frequency | 160.9 |
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| Structure | |
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| Chemical Formula | C16H23N7O6S |
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| Molecular Mass | 441.1431 |
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| SMILES | CSCC1OC(n2cnc3c(NC(=O)C(NC(N)=O)C(C)O)ncnc32)C(O)C1O |
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| InChI Key | XSLKYJSRGPSGLP-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-arylamidesn-carbamoyl-alpha amino acidsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupfatty amidemonosacchariden-arylamidealpha-amino acid or derivativesimidazopyrimidineorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazolen-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholcarbonic acid derivativesulfenyl compoundalpha-amino acid amideazacycletetrahydrofurandialkylthioethern-carbamoyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-substituted-alpha-amino acidoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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