| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:33 UTC |
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| Update Date | 2025-03-21 18:39:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123589 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C15H20N8O8 |
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| Molecular Mass | 440.1404 |
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| SMILES | N=C(NOCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)NC(CC(=O)O)C(=O)O |
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| InChI Key | ITKCEEGFUWNZQV-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 | 1,2-diolsalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidinesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsiminesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidguanidineiminemonosaccharidealpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundcarboximidamideoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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