| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:19 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160898 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27N7O9S |
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| Molecular Mass | 529.1591 |
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| SMILES | Nc1nc2c(ncn2C2OC(CSCCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | XQTABPSRJLDLBA-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-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdipeptidesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidshypoxanthinesimidazoleslactamsmonoalkylaminesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidonessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransthia fatty acidsvinylogous amides |
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| Substituents | lactamcarboxylic acidglutamine or derivativesamino acid or derivativesmonosaccharidealpha-amino acid or derivativesimidazopyrimidinesaccharideorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compound1,2-dioln-acyl-alpha amino acid or derivativesalcoholvinylogous amidesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundalpha-dipeptidesecondary carboxylic acid amidethioetherdicarboxylic acid or derivativeshypoxanthinehydrocarbon derivativeprimary aliphatic amineprimary amineaminefatty acylcarbonyl groupamino acidfatty amidepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundazolen-substituted imidazoletetrahydrofurancarboxamide groupn-acyl-amineoxacyclethia fatty acidorganic oxygen compoundsecondary alcoholpurineorganic nitrogen compoundorganooxygen compound |
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