DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:35 UTC
Update Date	2025-03-25 00:57:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223539
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₄O₆
Molecular Mass	318.1539
SMILES	NC(=O)CC(N)C(=O)NC(CCCCNCC(=O)O)C(=O)O
InChI Key	HOEAFMZPAVLJIH-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 acid amides alpha amino acids amino acids amino fatty acids asparagine and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid asparagine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID02223539