DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:34 UTC
Update Date	2025-03-21 18:05:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058749
Frequency	53.7
Structure
Chemical Formula	C₈H₁₂N₂O₃
Molecular Mass	184.0848
SMILES	CC(NC(=O)C1CCC=N1)C(=O)O
InChI Key	SEHSACATFKOIIO-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	alanine and derivatives alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives imines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrroline carboxylic acids and derivatives secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid imine propargyl-type 1,3-dipolar organic compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle n-acyl-alpha-amino acid pyrroline carboxylic acid or derivatives organic 1,3-dipolar compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrroline organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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