DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:10 UTC
Update Date	2025-03-25 00:57:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224825
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₃O
Molecular Mass	233.1528
SMILES	NCCCC(=O)N1CCCC1c1cccnc1
InChI Key	SCKOVBUFDGFGFF-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkaloids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives monoalkylamines n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds pyrrolidinylpyridines tertiary carboxylic acid amides
Substituents	carbonyl group aromatic heteromonocyclic compound azacycle pyrrolidinylpyridine gamma amino acid or derivatives heteroaromatic compound n-acylpyrrolidine carboxamide group organic oxide alkaloid or derivatives pyridine organic oxygen compound tertiary carboxylic acid amide organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine organoheterocyclic compound organooxygen compound

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