| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:34 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N5O9P |
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| Molecular Mass | 393.0686 |
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| SMILES | O=c1[nH]c(=O)c2[nH]c(CNC3OC(COP(=O)(O)O)C(O)C3O)nc2[nH]1 |
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| InChI Key | CDBJNQQREDFARY-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 compoundsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurinonespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidoneimidazopyrimidinepurinonehemiaminalpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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