DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:56 UTC
Update Date	2025-03-25 00:51:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187507
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₉N₃O₇
Molecular Mass	375.2006
SMILES	CC(C)C(NC(=O)CCC(NCCCCC(N)C(=O)O)C(=O)O)C(=O)O
InChI Key	AITIMCGXSRBXJT-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine n-acyl-alpha-amino acid valine or derivatives secondary amine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID02187507