| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:12:09 UTC |
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| Update Date | 2025-03-24 19:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01086584 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C23H32N8O24P4 |
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| Molecular Mass | 928.048 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc(C(=O)NC(CC(=O)O)C(=O)O)c3)C(O)C2O)C(O)C1O |
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| InChI Key | MRVSRXGLBDGOGB-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 monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-ribosyl-imidazolecarboxamides2-heteroaryl carboxamidesalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidine2-heteroaryl carboxamidesaccharideorganonitrogen compoundalpha-amino acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary carboxylic acid amidemonoalkyl phosphateaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineaminecarbonyl groupimidazole ribonucleosidepentose phosphateamino acidcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidazole-4-carbonyl groupimidolactamazolen-substituted imidazoletetrahydrofurancarboxamide group1-ribosyl-imidazolecarboxamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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