| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:11 UTC |
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| Update Date | 2025-03-21 18:38:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120410 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C18H29N7O14P2 |
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| Molecular Mass | 629.1248 |
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| SMILES | CC(=O)NC1C(N)OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | HOGSQVLCEKKGON-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 derivativeshemiaminalsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatespurine 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 derivativehemiaminalpyrimidineorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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