| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:32 UTC |
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| Update Date | 2025-03-21 18:34:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101839 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C12H13N3O3 |
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| Molecular Mass | 247.0957 |
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| SMILES | CC(=O)NC(Cc1c[nH]c2cccnc12)C(=O)O |
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| InChI Key | UBZAMRXSRJGHDU-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundacetamideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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