| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:43 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N6O7P |
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| Molecular Mass | 388.0896 |
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| SMILES | CC(=O)Nc1nc(N)c2ncn(C3CC(O)C(COP(=O)(O)O)O3)c2n1 |
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| InChI Key | ZHXHAJVKMVVMSS-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 | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acetylarylaminesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupn-acetylarylaminepentose phosphateamino acid or derivativesn-arylamideimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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