| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:50 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27N6O13P |
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| Molecular Mass | 566.1374 |
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| SMILES | CC(=O)NC1C(COP(=O)(O)OC2OC(CO)C(O)C(O)C2O)OC(n2cnc3c(=O)[nH]c(N)nc32)C1O |
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| InChI Key | GTNKUFUCFYXISY-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 | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary aminespurines and purine derivativespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactampentose phosphateamino acid or derivativespentose-5-phosphatepyrimidoneimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidedialkyl phosphatephosphoric acid estersecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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