| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:24:29 UTC |
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| Update Date | 2025-03-21 23:16:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00685189 |
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| Frequency | 2.3 |
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| Structure | |
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| Chemical Formula | C27H40N7O18P3S |
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| Molecular Mass | 875.1363 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(=O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1O |
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| InChI Key | NFFJODYORBHSFS-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 | 1,3-dicarbonyl compoundsacyloinsalpha-hydroxy ketonesazacyclic compoundsbeta amino acids and derivativescarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acyl aminesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine 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-phosphateimidazopyrimidinealpha-hydroxy ketonecarbothioic s-esterketonesaccharidepurine ribonucleoside diphosphatepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganoheterocyclic compoundalcoholsulfenyl compoundazacyclethiocarboxylic acid esterheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidemonoalkyl phosphatehydrocarbon derivativeprimary amine1,3-dicarbonyl compoundaminefatty acylcarbonyl grouppentose phosphatefatty amideorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamfatty acyl thioesterthiolactoneazolen-substituted imidazolethiocarboxylic acid or derivativestetrahydrofurancarboxamide groupn-acyl-aminebeta amino acid or derivativesoxacycleorganic oxygen compoundphosphoric acid esteracyloinsecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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