| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:49 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19N3O7P+ |
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| Molecular Mass | 336.0955 |
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| SMILES | NC(=O)c1ccc[n+](CC(O)C(O)C(N)COP(=O)(O)O)c1 |
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| InChI Key | IMEXXQMAPWRSJX-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 | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonoalkylaminesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphosphoethanolaminesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativephosphoethanolamineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouporganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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