| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:17 UTC |
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| Update Date | 2025-03-21 18:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136988 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C14H21N5O15P2 |
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| Molecular Mass | 561.0509 |
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| SMILES | Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | KVCGCWUIDZDXPD-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 | alpha hydroxy acids and derivativesamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpentose phosphateamino acid or derivativesamino acidpurine ribonucleoside monophosphatealpha-hydroxy acidmonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinecarboxylic acid derivativepyrimidinebeta-hydroxy acidsaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxy acidorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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