DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:52 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226316
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₄O₇
Molecular Mass	368.1332
SMILES	CC(O)C(N)C(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cn1
InChI Key	SQXSRCKIASXUQO-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams methylpyridines monoalkylamines n-acyl-alpha amino acids n-arylamides nicotinamides organic oxides organopnictogen compounds polyhalopyridines pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides
Substituents	pyridine carboxylic acid or derivatives fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound polyhalopyridine nicotinamide fatty amide n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine methylpyridine glutamic acid or derivatives carboxamide group secondary carboxylic acid amide pyridine organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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