| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:07 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156094 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N5O7S |
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| Molecular Mass | 401.1005 |
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| SMILES | CSCCN(C(=O)O)c1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1 |
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| InChI Key | PKJFCVCQFHPUGN-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 | azacyclic compoundscarbamic acidscarbonyl compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarbamic acidmonosaccharidepyrimidoneimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherpurine nucleosideheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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