DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:15 UTC
Update Date	2025-03-25 00:58:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233872
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₅N₃O₇S
Molecular Mass	427.1413
SMILES	NC(CCC(=O)NC(CSC(N)C(Cc1ccccc1)C(=O)O)C(=O)O)C(=O)O
InChI Key	DEFQYMUBARBVOC-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	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides sulfenyl compounds thiohemiaminal derivatives tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 3-phenylpropanoic-acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid hemithioaminal organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine beta amino acid or derivatives aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02233872