DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:52 UTC
Update Date	2025-03-25 00:59:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239803
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₃
Molecular Mass	226.1317
SMILES	NC1CCC(C(=O)N2CCCC2C(=O)O)C1
InChI Key	KTRXMXLDMLPHSM-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids delta amino acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives n-acylpyrrolidine organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine organoheterocyclic compound proline or derivatives azacycle n-acyl-alpha-amino acid carboxamide group monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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