| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:59 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237794 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N4O8P |
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| Molecular Mass | 374.0628 |
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| SMILES | Nc1nc2c(ccc(=O)n2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1 |
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| InChI Key | IZZZAPAAZRKPCN-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 | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminespyridinonespyrido[2,3-d]pyrimidinespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepolyhalopyridinepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinepyrido[2,3-d]pyrimidinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativeaminealkyl phosphate |
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