DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:42 UTC
Update Date	2025-03-21 17:59:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023579
Frequency	166.7
Structure
Chemical Formula	C₁₂H₁₉N₃O₇
Molecular Mass	317.1223
SMILES	CC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	BDYVUHOXHHOMHX-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	acetamides alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamic acid and derivatives glutamine and derivatives hydrocarbon 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 carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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