| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181851 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N4O7S |
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| Molecular Mass | 384.074 |
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| SMILES | O=C(O)C(=O)CCSCC1OC(n2cnc3c(=O)nc[nH]c32)C(O)C1O |
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| InChI Key | GWVXVILIBJVYKU-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-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidshypoxanthinesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmonosaccharidepyrimidoneimidazopyrimidineorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativepyrimidineketonesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidsecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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