| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:26 UTC |
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| Update Date | 2025-03-21 18:28:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072786 |
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| Frequency | 96.1 |
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| Structure | |
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| Chemical Formula | C10H14N5O9P |
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| Molecular Mass | 379.0529 |
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| SMILES | Nc1nc2c(O)nc(=O)n(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
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| InChI Key | NJTUEQFPKLCSSH-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-diolsalkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurinonespyrimidonessecondary alcoholstetrahydrofuransxanthines |
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| Substituents | pentose phosphatepentose-5-phosphatepyrimidonehydroxypyrimidineimidazopyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundxanthineoxacyclealkaloid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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