DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:47 UTC
Update Date	2025-03-25 00:46:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152976
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₃O₅
Molecular Mass	297.1325
SMILES	NC(=O)c1ccc(=O)n(CCCCC(N)C(=O)O)c1CO
InChI Key	UYLBDFOJYUMZID-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines amino fatty acids aromatic alcohols azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids hydroxypyridines lactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives nicotinamides organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives pyridinones vinylogous amides
Substituents	aromatic alcohol primary carboxylic acid amide pyridine carboxylic acid or derivatives fatty acyl carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid polyhalopyridine nicotinamide fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid 2-halopyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound hydroxypyridine carboxamide group amino fatty acid monocarboxylic acid or derivatives pyridine organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyridinone organooxygen compound

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