| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:24:59 UTC |
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| Update Date | 2025-03-21 22:18:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00544604 |
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| Frequency | 3.1 |
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| Structure | |
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| Chemical Formula | C19H30N7O23P5 |
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| Molecular Mass | 879.0081 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CO[PH](=O)(=O)O[PH](O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)C(O)C1O |
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| InChI Key | ITFAUHBZLYGJSN-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 deoxyribonucleotides |
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| Direct Parent | pyrimidine 2'-deoxyribonucleoside triphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine nucleosidespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatemonosaccharidepyrimidoneimidazopyrimidinepyrimidinepyrimidine 2'-deoxyribonucleoside triphosphatesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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