| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:28 UTC |
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| Update Date | 2025-03-21 17:57:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004958 |
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| Frequency | 1104.2 |
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| Structure | |
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| Chemical Formula | C10H17N5O16P4 |
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| Molecular Mass | 586.9621 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1OP(=O)(O)O |
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| InChI Key | RTLUHHKGDOOKIR-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 triphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside 2',5'-bisphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazolepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganopnictogen compoundimidolactampurine ribonucleoside triphosphateorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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