| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:17 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252321 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N3O3 |
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| Molecular Mass | 235.0957 |
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| SMILES | Nc1ccc(C(=O)N2CCCC2C(=O)O)cn1 |
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| InChI Key | OSJCAUQMOVUVIU-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminesproline and derivativespyridinecarboxylic acids and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridinen-acylpyrrolidineorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinepyrrolidineimidolactamorganoheterocyclic compoundproline or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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