DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:58 UTC
Update Date	2025-03-25 00:54:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208043
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₂O₃
Molecular Mass	256.1787
SMILES	CC(C)CC(N)C=CC(=O)NC(C(=O)O)C(C)C
InChI Key	SNZSBNSDTXXJCH-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 carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives 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 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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