DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:20 UTC
Update Date	2025-03-21 17:58:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00011603
Frequency	412.8
Structure
Chemical Formula	C₁₂H₂₂N₂O₅
Molecular Mass	274.1529
SMILES	CC(C)CC(NC(=O)CCCC(N)C(=O)O)C(=O)O
InChI Key	UTVRHROUHCNOAA-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	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino fatty acids carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid n-acyl-alpha amino acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid carboxamide group amino fatty acid branched fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00011603