DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:20 UTC
Update Date	2025-03-21 18:00:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00027453
Frequency	138.2
Structure
Chemical Formula	C₈H₁₃N₃O₆
Molecular Mass	247.0804
SMILES	NC(=O)CC(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	PNTYEICTDVFBPB-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	alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines 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 fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00027453