| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:40 UTC |
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| Update Date | 2025-03-21 18:06:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063750 |
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| Frequency | 48.4 |
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| Structure | |
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| Chemical Formula | C22H30N6O20P2 |
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| Molecular Mass | 760.099 |
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| SMILES | Nc1c(C(=O)NC(CC(=O)O)C(=O)O)ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O |
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| InChI Key | PJSQQEHMAIYQSX-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 | pyrimidine nucleotides |
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| Subclass | pyrimidine ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic 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 derivativesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-acyl-alpha amino acidsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidamino acid or derivativesmonosaccharidepentose-5-phosphatealpha-amino acid or derivatives2-heteroaryl carboxamidesaccharideorganonitrogen compoundalpha-amino acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidepyrimidine ribonucleoside diphosphatemonoalkyl phosphateaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineaminecarbonyl groupimidazole ribonucleosidearomatic heteromonocyclic compoundpentose phosphateamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxideimidazoleorganopnictogen compoundimidazole-4-carbonyl groupazolen-substituted imidazolecarbonic acid derivativetetrahydrofurancarboxamide group1-ribosyl-imidazolecarboxamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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