| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:52 UTC |
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| Update Date | 2025-03-21 18:39:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124329 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C10H12N5O8P |
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| Molecular Mass | 361.0423 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(C(=O)O)C(O)C1OP(=O)(O)O |
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| InChI Key | UMFUQVYNDFCFDC-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 | amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidimidazopyrimidinecarboxylic acid derivativepyrimidinebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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