| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:53 UTC |
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| Update Date | 2025-03-21 18:04:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050261 |
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| Frequency | 65.4 |
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| Structure | |
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| Chemical Formula | C19H27N8O16P3 |
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| Molecular Mass | 716.0758 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(O)C2O)c(=O)n1 |
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| InChI Key | LWMCEHHAQKFLSX-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 | pyrimidine nucleotides |
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| Subclass | pyrimidine ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside triphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | pyrimidine ribonucleoside triphosphatepentose phosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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