| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:11 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050914 |
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| Frequency | 64.3 |
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| Structure | |
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| Chemical Formula | C16H25N5O15P2 |
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| Molecular Mass | 589.0822 |
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| SMILES | Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)c(=O)[nH]1 |
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| InChI Key | GLPQLZCROJYQLM-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 deoxyribonucleotides |
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| Direct Parent | purine 2'-deoxyribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary aminespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatemonosaccharidepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpurine 2'-deoxyribonucleoside diphosphateorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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