| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:50:54 UTC |
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| Update Date | 2025-03-24 21:22:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01756290 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C32H47N8O18P3S |
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| Molecular Mass | 956.1942 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)C(N)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | SPEXRUKPSUEVLH-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesdihydropyridinesenaminesfatty acyl thioestersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside 2',5'-bisphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransthioestersthiolactones |
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| Substituents | amino acid or derivativesmonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinecarbothioic s-estersaccharidepurine ribonucleoside diphosphatepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundalpha-amino aciddihydropyridineorganoheterocyclic compoundalcoholsulfenyl compoundalpha-amino acid amideazacyclethiocarboxylic acid esterheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidemonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineprimary amineamineenaminecarbonyl grouppentose phosphateorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamfatty acyl thioesterthiolactoneazolen-substituted imidazolethiocarboxylic acid or derivativestetrahydrofurancarboxamide groupoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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