Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:24 UTC |
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Update Date | 2025-03-21 18:34:04 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099055 |
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Frequency | 27.7 |
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Structure | |
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Chemical Formula | C20H28N7O17P3 |
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Molecular Mass | 731.0755 |
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SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(CP(=O)(O)O)C1O |
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InChI Key | QKFKOXPVYIOGCE-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 3'-deoxyribonucleoside diphosphates |
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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 oxidesorganic phosphonic acids and derivativesorganic pyrophosphatesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidine ribonucleoside diphosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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Substituents | lactampentose phosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundpurine 3'-deoxyribonucleoside diphosphateorganic pyrophosphateoxacyclepyrimidine ribonucleoside diphosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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