| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:18 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O4 |
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| Molecular Mass | 277.1063 |
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| SMILES | O=C(O)CNC(=O)C1CCCN1C(=O)c1cccnc1 |
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| InChI Key | WYHGPLHXDRBMEG-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyridinecarboxylic acids and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinealpha peptideorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalpha-amino acid amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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