| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:41 UTC |
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| Update Date | 2025-03-21 18:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035364 |
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| Frequency | 100.9 |
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| Structure | |
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| Chemical Formula | C12H18N5O7P |
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| Molecular Mass | 375.0944 |
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| SMILES | CN(C)c1nc(=O)c2ncn(C3CC(O)C(COP(=O)(O)O)O3)c2[nH]1 |
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| InChI Key | CAVFKMBOCISJHQ-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 | aminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pentose phosphatepyrimidoneimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddialkylarylamineorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundaminopyrimidineoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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