DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:43 UTC
Update Date	2025-03-21 18:04:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052136
Frequency	62.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₄
Molecular Mass	273.1689
SMILES	CC(C)CC(NC(=O)CCCN)C(=O)NCC(=O)O
InChI Key	SFHOFWONRVCOLR-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dipeptides gamma amino acids and derivatives hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00052136