| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:22 UTC |
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| Update Date | 2025-03-21 18:34:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101421 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C13H17N5O6S |
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| Molecular Mass | 371.09 |
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| SMILES | NC(CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | NVPCAKNTFQORIC-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 | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidealpha-amino acid or derivativesimidazopyrimidinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganooxygen compound |
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