| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O8P+ |
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| Molecular Mass | 377.1108 |
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| SMILES | NC(CCc1ccc[n+](C2CC(O)C(COP(=O)(O)O)O2)c1)C(=O)O |
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| InChI Key | ABCFOARUBCLVAB-UHFFFAOYSA-O |
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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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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