| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:22 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098970 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C18H28N6O15P2 |
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| Molecular Mass | 630.1088 |
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| SMILES | CC(=O)NC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O |
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| InChI Key | XVHLPANREUVRLY-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 | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouppentose phosphateamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholimidolactamorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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