| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:00 UTC |
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| Update Date | 2025-03-25 00:54:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N3O4 |
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| Molecular Mass | 295.1532 |
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| SMILES | CC(C)CC(NC(=O)C(N)Cc1ncccc1O)C(=O)O |
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| InChI Key | LXEAVDYSINXSLU-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesleucine and derivativesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty amidealpha-amino acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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