| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:43 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219197 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N5O8P |
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| Molecular Mass | 453.1049 |
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| SMILES | COc1ccc(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1 |
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| InChI Key | IOFLLZHJKWFHIO-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 | 1,2-diolsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmethoxybenzenesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesphenoxy compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietyetherpentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinealkyl aryl etherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundmethoxybenzeneoxacycleorganic oxygen compoundphosphoric acid esteranisolemonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidpurineprimary amineorganic nitrogen compoundphenoxy compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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