DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:54 UTC
Update Date	2025-03-21 18:31:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00088162
Frequency	32.2
Structure
Chemical Formula	C₁₀H₂₁N₃O₃
Molecular Mass	231.1583
SMILES	CC(C)C(NC(=O)C(N)CC(N)=O)C(C)O
InChI Key	IXSSBDKRRZYTCF-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 acid amides alpha amino acids carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides
Substituents	primary carboxylic acid amide alcohol fatty acyl aliphatic acyclic compound carbonyl group alpha-amino acid amide fatty amide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound alpha-amino acid secondary alcohol organopnictogen compound hydrocarbon derivative primary aliphatic amine asparagine or derivatives organic nitrogen compound organooxygen compound

Showing information for DMID00088162