DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:03 UTC
Update Date	2025-03-25 00:51:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185418
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅N₃O₅
Molecular Mass	245.1012
SMILES	NC(=O)CC(NC(=O)CCC(N)C=O)C(=O)O
InChI Key	HOAREQCSSCMXNO-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	asparagine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	aldehydes alpha amino acids carboxylic acids fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and 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 gamma amino acid or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid aldehyde carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02185418