DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:21 UTC
Update Date	2025-03-25 00:48:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167828
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₄
Molecular Mass	242.1267
SMILES	CC(C)CC1CC(C(=O)C(N)C(=O)O)N=C1O
InChI Key	PSZDBPOCZSFWPF-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	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds azacyclic compounds beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids cyclic carboximidic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrrolines
Substituents	beta-hydroxy ketone carbonyl group carboxylic acid beta-keto acid propargyl-type 1,3-dipolar organic compound ketone organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle organic 1,3-dipolar compound monocarboxylic acid or derivatives pyrroline organic oxygen compound keto acid hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound cyclic carboximidic acid organooxygen compound

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