| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:39 UTC |
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| Update Date | 2025-03-25 01:00:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241591 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N6O7P |
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| Molecular Mass | 402.1053 |
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| SMILES | CC(N)C(=O)Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1 |
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| InChI Key | RLZUASBXKHKTTL-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 | alanine and derivativesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-arylamidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouppentose phosphaten-arylamidealpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholalpha-amino acid amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholalanine or derivativeshydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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