Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 14:51:11 UTC |
---|
Update Date | 2025-03-25 00:50:29 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID02181224 |
---|
Frequency | 0.5 |
---|
Structure | |
---|
Chemical Formula | C15H17NO8S |
---|
Molecular Mass | 371.0675 |
---|
SMILES | O=C(O)CC(SCC(NC(=O)Cc1ccc(O)cc1)C(=O)O)C(=O)O |
---|
InChI Key | YDKULTAEUPUPFT-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 | n-acyl-alpha amino acids |
---|
Geometric Descriptor | aromatic homomonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
---|
Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidphenylacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
---|