DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:47 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168822
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃N₃O₃
Molecular Mass	341.1739
SMILES	CC(C)CC(NC(=O)c1ccc(NCc2ccccn2)cc1)C(=O)O
InChI Key	MZOBSVWJOHFKGY-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	leucine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hydroxypyridines methylpyridines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzamide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound hydroxypyridine benzoic acid or derivatives methylpyridine secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives pyridine organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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