| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:26:44 UTC |
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| Update Date | 2025-03-24 21:38:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01840718 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C21H32N6O24P4 |
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| Molecular Mass | 876.0418 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=C(C(=O)O)C(O)C(OP(=O)(O)O)C3O)C(O)C2O)C(O)C1OP(=O)(O)O |
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| InChI Key | UMNLVKQWYZRVND-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 diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkanolaminesamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside 2',5'-bisphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuranstetrahydropyridinesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidmonosaccharidepentose-5-phosphateimidazopyrimidinecarboxylic acid derivativepyrimidinebeta-hydroxy acidsaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazolepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalkanolamineazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundtetrahydropyridinehydroxy acidorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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