| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:44 UTC |
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| Update Date | 2025-03-21 18:33:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094959 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C8H12N2O5P+ |
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| Molecular Mass | 247.0478 |
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| SMILES | NC(=O)c1ccc[n+](CCOP(=O)(O)O)c1 |
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| InChI Key | QETSETQAVPDIMH-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouporganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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