DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:40 UTC
Update Date	2025-03-25 00:57:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223716
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉N₃O₃
Molecular Mass	301.1426
SMILES	NC(C(=O)Cc1c[nH]c2ccccc12)N1CCCC1C(=O)O
InChI Key	FDQWLPZWKZOGSN-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	proline and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzenoids carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles ketones monoalkylamines monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds pyrroles pyrrolidine carboxylic acids
Substituents	carbonyl group carboxylic acid indole ketone organic oxide aromatic heteropolycyclic compound pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives azacycle n-alkylpyrrolidine heteroaromatic compound indole or derivatives monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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