Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:49:54 UTC |
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Update Date | 2025-03-21 18:02:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00038351 |
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Frequency | 91.3 |
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Structure | |
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Chemical Formula | C16H23N5O15P2 |
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Molecular Mass | 587.0666 |
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SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(=O)C(O)C(O)C2O)C(O)C1O |
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InChI Key | FWYNRFIPTMGVBF-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic oxygen compounds |
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Class | organooxygen compounds |
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Subclass | carbohydrates and carbohydrate conjugates |
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Direct Parent | monosaccharides |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid estersdelta valerolactonesgluconolactonesheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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Substituents | carbonyl grouppentose phosphateamino acid or derivativesdelta valerolactonepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinecarboxylic acid derivativepyrimidinelactoneorganic oxidepurine ribonucleoside diphosphategluconolactonearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamdelta_valerolactoneorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatecarboxylic acid estersecondary alcoholhexose phosphatehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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