| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:43 UTC |
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| Update Date | 2025-03-21 18:28:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073459 |
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| Frequency | 40.6 |
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| Structure | |
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| Chemical Formula | C13H20N6O13P2 |
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| Molecular Mass | 530.0564 |
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| SMILES | Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCC(N)C(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | HUPFIOQKIRJGEA-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-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphoethanolaminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinesaccharidepurine ribonucleoside diphosphateorganonitrogen compoundalpha-amino acidorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehypoxanthinehydrocarbon derivativeprimary aliphatic amineprimary amineaminecarbonyl grouppentose phosphateamino acidpyrimidonecarboxylic acid derivativepyrimidinephosphoethanolamineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundazolen-substituted imidazoletetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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