| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:15 UTC |
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| Update Date | 2025-03-21 18:33:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096201 |
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| Frequency | 28.8 |
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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(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)CC2O)OC(CO)C(O)C1O |
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| InChI Key | OLBUSCUBBNGPHY-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 derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesn-acyl-alpha-hexosaminesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary aminespurine 2'-deoxyribonucleoside diphosphatespurines and purine derivativespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactampentose phosphateamino acid or derivativesmonosaccharidepyrimidoneimidazopyrimidinecarboxylic acid derivativepyrimidinen-acyl-alpha-hexosamineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpurine 2'-deoxyribonucleoside diphosphatecarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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