DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:06 UTC
Update Date	2025-03-25 00:54:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208371
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₄
Molecular Mass	232.1423
SMILES	CC(C)OC(=O)C(C)NC(=O)C(N)C(C)O
InChI Key	UFOTZGNEHLDNEQ-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	alanine and derivatives 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 n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
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 alcohol alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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