DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:14 UTC
Update Date	2025-03-25 00:48:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167575
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₂N₂O₃
Molecular Mass	230.163
SMILES	CC(C)COC(=O)CNC(=O)C(N)C(C)C
InChI Key	URULOPBJDIEWLA-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	peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acid esters alpha amino acids carbonyl compounds carboxylic acid esters hydrocarbon derivatives 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 fatty amide alpha-amino acid or derivatives alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid valine or derivatives carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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