| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:20 UTC |
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| Update Date | 2025-03-21 18:41:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134816 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C11H16N2O7P+ |
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| Molecular Mass | 319.069 |
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| SMILES | NC(=O)c1cc[n+](C2CC(O)C(COP(=O)(O)O)O2)cc1 |
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| InChI Key | MNXSGGDROQQSRW-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 | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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