| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:18 UTC |
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| Update Date | 2025-03-25 00:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N5O11P |
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| Molecular Mass | 479.1053 |
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| SMILES | O=P(O)(O)OCC1OC(n2ncc3c(NC4OC(CO)C(O)C4O)ncnc32)C(O)C1O |
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| InChI Key | BIACNZINLBDWEP-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrazolespyrazolo[3,4-d]pyrimidinespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | pentose phosphatepentose-5-phosphatepyrazolepyrimidineorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolepyrazolo[3,4-d]pyrimidinealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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