DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:08 UTC
Update Date	2025-03-21 18:01:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031654
Frequency	126.7
Structure
Chemical Formula	C₁₆H₂₂N₂O₄S
Molecular Mass	338.13
SMILES	CSCCC(NC(C)=O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	QYHDEGINTVLDFN-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	acetamides alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives methionine and derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00031654