| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:30 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252819 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N5O8P |
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| Molecular Mass | 445.1362 |
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| SMILES | NC(CCCNc1nc2cccn(C3CC(O)C(COP(=O)(O)O)O3)c-2n1)C(=O)O |
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| InChI Key | FJPYRIOTYXZONN-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 | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidpolyhalopyridinealpha-amino acid or derivativesimidazopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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