| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:43 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198284 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N6O12P2 |
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| Molecular Mass | 500.0458 |
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| SMILES | Nc1nc2nc(NC3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c(CO)nc2c(=O)[nH]1 |
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| InChI Key | UUBBQNIRSHRRAN-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 | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminespterins and derivativespyrazinespyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | aromatic alcohollactampentose phosphatepentose-5-phosphatepyrimidonepteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholpterinazacycletetrahydrofuranheteroaromatic compoundsecondary amineorganic pyrophosphatesecondary aliphatic/aromatic amineoxacyclephosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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