| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:16 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19N6O8P |
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| Molecular Mass | 454.1002 |
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| SMILES | Nc1nc(Nc2ccc(O)cc2)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | PUTLCPXXGFCCNG-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-diols1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary aminestetrahydrofurans |
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| Substituents | monocyclic benzene moietypentose phosphatepurine ribonucleoside monophosphate1-hydroxy-2-unsubstituted benzenoidmonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholphenolhydrocarbon derivativebenzenoidpurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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