| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:47 UTC |
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| Update Date | 2025-03-25 00:48:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168808 |
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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 | CC(C)CC(NC(=O)Cn1cccc(N)c1=O)C(=O)O |
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| InChI Key | YXQZAWXGHVUQFA-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyridinonessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundpyridinoneamineorganooxygen compound |
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