| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:04 UTC |
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| Update Date | 2025-03-21 18:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131963 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C20H27N7O16P2 |
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| Molecular Mass | 683.099 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C(O)C2O)C(O)C1O |
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| InChI Key | NZACUNCWWCQOCN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidineorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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