DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:33 UTC
Update Date	2025-03-25 00:48:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168281
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₇
Molecular Mass	333.1536
SMILES	CC(CCCC(N)C(=O)O)(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	GXWLATDNNDZTBO-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	n-epsilon-acyl lysines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids dipeptides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives organic oxide organonitrogen compound organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid n-epsilon-acetyl-lysine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02168281