DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:29 UTC
Update Date	2025-03-21 18:41:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135157
Frequency	18.6
Structure
Chemical Formula	C₁₂H₂₂N₂O₆
Molecular Mass	290.1478
SMILES	CC(C)CC(N)C(=O)NC(CCC(O)C(=O)O)C(=O)O
InChI Key	YMKYAQGVAAIPLY-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 alpha hydroxy acids and derivatives amino fatty acids branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids leucine and derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides 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 carboxylic acid alpha-hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid saccharide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group amino fatty acid branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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