DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:15 UTC
Update Date	2025-03-21 18:36:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00108527
Frequency	24.7
Structure
Chemical Formula	C₁₁H₂₁N₃O₄
Molecular Mass	259.1532
SMILES	COC(=O)C(CC(C)C)NC(=O)C(N)CC(N)=O
InChI Key	WHFBFASOMAKDAE-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	alpha amino acid amides alpha amino acid esters alpha amino acids asparagine and derivatives carbonyl compounds fatty acid esters hydrocarbon derivatives leucine and derivatives methyl esters monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives alpha peptide organic oxide methyl ester leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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