| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:43:19 UTC |
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| Update Date | 2025-03-21 22:55:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00588279 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C27H39N11O15P2S2 |
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| Molecular Mass | 883.1544 |
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| SMILES | CSCCNc1nc(SCCC(N)C(=O)O)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | IDLIYPWURRSBAD-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 | alkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinearyl thioethersaccharidepurine ribonucleoside diphosphateorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compoundalcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineprimary amineaminefatty acylcarbonyl grouppentose phosphateamino acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoletetrahydrofuransecondary amineoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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