| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:25 UTC |
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| Update Date | 2025-03-21 18:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046758 |
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| Frequency | 71.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O12P2 |
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| Molecular Mass | 406.0178 |
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| SMILES | O=C1CCN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)C(=O)N1 |
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| InChI Key | DBZDTCPVZDQULS-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdiazinanesdicarboximideshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouppentose phosphatepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidine1,3-diazinaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddicarboximideureideorganoheterocyclic compound1,2-diolalcoholn-acyl ureacarbonic acid derivativeazacycletetrahydrofuranorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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