DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:28 UTC
Update Date	2025-03-21 18:06:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065647
Frequency	46.6
Structure
Chemical Formula	C₁₁H₁₉N₃O₆
Molecular Mass	289.1274
SMILES	CC(C)CC(NC(=O)C(CC(=O)O)NC(N)=O)C(=O)O
InChI Key	PMLSRODPXUWUDK-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids n-acyl amines n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide n-carbamoyl-alpha-amino acid or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives carbonic acid derivative methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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