| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:42 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N5O+ |
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| Molecular Mass | 244.1193 |
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| SMILES | NC(=O)c1ccc[n+](Cc2ccc(N)nc2N)c1 |
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| InChI Key | CQYDQMLRRCRXJW-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 | 2-halopyridinesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsnicotinamidesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationimidolactamvinylogous amideazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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