| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:49 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230565 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O4 |
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| Molecular Mass | 281.1376 |
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| SMILES | CNC(=O)c1cn(CCCCC(N)C(=O)O)ccc1=O |
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| InChI Key | YVXZNDPPPAFQMS-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 ketonesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidnicotinamidefatty acidcyclic ketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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