| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:22 UTC |
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| Update Date | 2025-03-25 00:55:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211419 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N6O5S |
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| Molecular Mass | 398.1372 |
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| SMILES | CC(=O)NCCSCC(O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O |
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| InChI Key | BDQSEHDUOCCXLT-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 | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupamino acid or derivativesmonosaccharideimidazopyrimidineorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherpurine nucleosideheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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