| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:55:23 UTC |
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| Update Date | 2025-03-25 00:30:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02051121 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C28H36N9O18P3 |
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| Molecular Mass | 879.1391 |
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| SMILES | COC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)OC1n1cnc2c(N)ncnc21 |
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| InChI Key | WSEXNPKWCZMKDX-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 | flavin nucleotides |
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| Subclass | flavin nucleotides |
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| Direct Parent | flavin nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdialkyl ethersdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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| Substituents | etherlactampentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepteridineisoalloxazinedialkyl etherflavinpyrimidinesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactampurine ribonucleoside triphosphateorganoheterocyclic compoundazolen-substituted imidazolealcoholquinoxalinecarbonic acid derivativeazacycleflavin nucleotidetetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidpurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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