| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:03 UTC |
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| Update Date | 2025-03-25 00:58:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228891 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26N6O16P2 |
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| Molecular Mass | 644.0881 |
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| SMILES | CC(=O)NC1(C(=O)O)OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | KLEMIPCUEQXZHX-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 nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsaminosaccharidesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinebeta-hydroxy acidsaccharidepurine ribonucleoside diphosphateorganonitrogen compoundalpha-amino acidorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidemonoalkyl phosphatehydrocarbon derivativeprimary amineaminecarbonyl grouppentose phosphateamino acidcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoleamino saccharidetetrahydrofuranhydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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