| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:43 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N7O7P |
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| Molecular Mass | 411.0692 |
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| SMILES | Nc1ncnc2nc3c(=O)ncnc-3n(C3CC(O)C(COP(=O)(O)O)O3)c12 |
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| InChI Key | VYOTWTTWLROLRU-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 aminespteridines and derivativespyrazinespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepyrimidonepteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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