| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:11:39 UTC |
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| Update Date | 2025-03-24 22:35:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01231893 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C25H36N11O19P3 |
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| Molecular Mass | 887.1402 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(NCCCC(N)C(=O)O)nc43)C(O)C2O)C(O)C1O |
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| InChI Key | VXVVTEPOBTVWCI-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 triphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesimidolactamslactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinesaccharideorganonitrogen compoundalpha-amino acidpurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundsecondary aliphatic/aromatic aminemonoalkyl phosphatehypoxanthinehydrocarbon derivativeprimary aliphatic amineprimary amineaminecarbonyl grouppentose phosphateamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoletetrahydrofuransecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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