| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:50 UTC |
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| Update Date | 2025-03-21 18:37:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114803 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C12H16N2O5 |
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| Molecular Mass | 268.1059 |
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| SMILES | NC(CCCCn1ccc(=O)c(C(=O)O)c1)C(=O)O |
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| InChI Key | IVRUFQFMCAXPLL-UHFFFAOYSA-N |
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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 acidscyclic ketonesdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesorganic 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 acidcyclic ketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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