DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:07 UTC
Update Date	2025-03-25 00:56:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220147
Frequency	0.5
Structure
Chemical Formula	C₉H₁₉N₃O₂S
Molecular Mass	233.1198
SMILES	CSCCC(N)C(=O)NC(=O)CCCN
InChI Key	CWZOEUVLLILJOO-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	methionine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids and derivatives dialkylthioethers dicarboximides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds sulfenyl compounds
Substituents	aliphatic acyclic compound carbonyl group gamma amino acid or derivatives organosulfur compound carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide sulfenyl compound alpha-amino acid amide dialkylthioether n-acyl-amine carboxylic acid imide organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02220147