| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:07 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30N10O12P2 |
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| Molecular Mass | 676.152 |
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| SMILES | CP(=O)(OCC(O)C(O)C(O)Cn1cnc2c(N)ncnc21)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
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| InChI Key | GHXSPMZAEAPBNT-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 monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphonic acid estersprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinephosphonic acid estersaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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