| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:59:30 UTC |
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| Update Date | 2025-03-25 00:31:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02060953 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C28H46N7O18P3S |
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| Molecular Mass | 893.1833 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(O)C(O)C(C)(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1O |
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| InChI Key | YOAPRGRITSPVIC-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 | azacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesdialkylaminesfatty acyl thioestershemiaminalsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside 2',5'-bisphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstertiary alcoholstetrahydrofuransthioestersthiolactones |
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| Substituents | amino acid or derivativesmonosaccharidepentose-5-phosphateimidazopyrimidinehemiaminalcarbothioic s-estersaccharidepurine ribonucleoside diphosphatepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic aminesulfenyl compoundazacyclethiocarboxylic acid esterheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidemonoalkyl phosphatehydrocarbon derivativeprimary amineaminecarbonyl grouppentose phosphateorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamfatty acyl thioesterthiolactonealkanolamineazolen-substituted imidazolethiocarboxylic acid or derivativestetrahydrofuransecondary aminecarboxamide groupbeta amino acid or derivativesoxacycletertiary alcoholorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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