| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:16 UTC |
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| Update Date | 2025-03-21 18:39:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127678 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C26H31N9O15P2 |
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| Molecular Mass | 771.1415 |
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| SMILES | Cc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
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| InChI Key | BAEBHDWYUJYREQ-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 | alloxazines and isoalloxazinesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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| Substituents | lactampentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepteridineisoalloxazinepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatediazanaphthalenearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholquinoxalinecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativepurinebenzenoidprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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