| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:25 UTC |
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| Update Date | 2025-03-25 00:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N5O4 |
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| Molecular Mass | 319.1281 |
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| SMILES | NC(=O)CC(N)C(=O)NC(Cc1c[nH]c2ncccc12)C(=O)O |
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| InChI Key | OHDOZKPEZDYLIF-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsasparagine and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyrrolespyrrolopyridinessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidpolyhalopyridinefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivatives2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclepyrrolopyridinen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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