| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:54 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N6O6S |
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| Molecular Mass | 372.0852 |
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| SMILES | NC(=O)CSc1nc2c(=O)[nH]c(N)nc2n1C1OC(CO)C(O)C1O |
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| InChI Key | KEYMUOYYAQRXLI-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 | alkylarylthioethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminesprimary carboxylic acid amidespurines and purine derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamamino acid or derivativesmonosaccharidepyrimidoneimidazopyrimidinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundthioethersecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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