| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:57 UTC |
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| Update Date | 2025-03-25 01:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N5O12P2 |
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| Molecular Mass | 471.0192 |
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| SMILES | O=CNc1nc(O)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | VNXOYIWWPOKGLR-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 | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-arylamidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouppentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphaten-arylamidehydroxypyrimidineimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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