| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:57 UTC |
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| Update Date | 2025-03-21 18:03:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043215 |
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| Frequency | 78.8 |
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| Structure | |
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| Chemical Formula | C12H18N4O6S |
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| Molecular Mass | 346.0947 |
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| SMILES | Nc1ccn(C2OC(CSCC(N)C(=O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | OIVAYHWKZLYUON-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidepyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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