DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:55 UTC
Update Date	2025-03-25 00:51:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185127
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₅N₃O₄
Molecular Mass	301.1063
SMILES	NC(=O)CCC(NC(=O)c1ccnc2ccccc12)C(=O)O
InChI Key	GWFFDFSTKUWHBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives quinoline carboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives fatty acyl carbonyl group carboxylic acid glutamine or derivatives polyhalopyridine fatty amide organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives quinoline-4-carboxamide pyridine organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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