| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:41 UTC |
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| Update Date | 2025-03-25 00:54:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N4O9P |
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| Molecular Mass | 390.0577 |
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| SMILES | Nc1ccc2nc(C(=O)O)n(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 |
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| InChI Key | NDBCHKRRYXUFQQ-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-diols2-halopyridinesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | carboxylic acidpentose phosphateamino acid or derivativesamino acidpolyhalopyridinepentose-5-phosphateimidazopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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