DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:51 UTC
Update Date	2025-03-21 18:41:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133750
Frequency	18.8
Structure
Chemical Formula	C₈H₁₃N₃O₅
Molecular Mass	231.0855
SMILES	NC(=O)CCC(=O)NC(CC(N)=O)C(=O)O
InChI Key	ICHXWMBFSZHLQL-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	alpha amino acids carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives 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 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 carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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