DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:24 UTC
Update Date	2025-03-25 01:01:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252584
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₅
Molecular Mass	289.1638
SMILES	NC(CCCC(=O)NCCCNCCC(=O)O)C(=O)O
InChI Key	WMLLKTJXVWOBPS-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid secondary aliphatic amine secondary amine carboxamide group amino fatty acid n-acyl-amine beta amino acid or derivatives 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 DMID02252584