DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:03 UTC
Update Date	2025-03-25 00:54:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205929
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₄O₈S
Molecular Mass	392.1002
SMILES	NC(CCC(=O)NC(CSC1NC(=O)NC1CC(=O)O)C(=O)O)C(=O)O
InChI Key	KBPOTAFOBPBELU-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers glutamine and derivatives hydrocarbon derivatives imidazolidinones monoalkylamines n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids thiohemiaminal derivatives tricarboxylic acids and derivatives
Substituents	imidazolidine fatty acyl carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound imidazolidinone organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid hemithioaminal organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives carbonic acid derivative sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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