DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:08 UTC
Update Date	2025-03-25 00:51:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190221
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₆
Molecular Mass	302.1478
SMILES	CC(=O)NC(CC(=O)O)CC(=O)NC(CC(C)C)C(=O)O
InChI Key	NBVNUEDQYSPXEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acids beta amino acids 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 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 carboxylic acid derivative organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha amino acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound organooxygen compound

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