| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:51 UTC |
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| Update Date | 2025-03-21 17:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005818 |
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| Frequency | 905.7 |
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| Structure | |
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| Chemical Formula | C12H18N3O3+ |
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| Molecular Mass | 252.1343 |
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| SMILES | NC(=O)c1ccc[n+](CCCCC(N)C(=O)O)c1 |
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| InChI Key | HXIMUKOZJZFKPM-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidnicotinamidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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