| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:54 UTC |
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| Update Date | 2025-03-25 00:50:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O12P2 |
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| Molecular Mass | 456.0083 |
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| SMILES | O=c1[nH]cnc2c1ncc(=O)n2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | UNOSVFBNLIJILI-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 | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspteridines and derivativespyrazinespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonepteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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