| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:11 UTC |
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| Update Date | 2025-03-21 17:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022454 |
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| Frequency | 176.7 |
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| Structure | |
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| Chemical Formula | C12H17N2O4+ |
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| Molecular Mass | 253.1183 |
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| SMILES | NC(CCCC[n+]1cccc(C(=O)O)c1)C(=O)O |
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| InChI Key | ANMSOOIOWLWNRH-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridine-3-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpyridine-3-carboxylic acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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