DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:35 UTC
Update Date	2025-03-25 00:48:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168343
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₄
Molecular Mass	258.158
SMILES	CC(C)C(N)CC(=O)C(=O)NC(C(=O)O)C(C)C
InChI Key	KOSUOMMVDZSPNB-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 acyclic compounds
Alternative Parents	alpha amino acids carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives ketones methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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