Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:01 UTC |
---|
Update Date | 2025-03-21 18:35:24 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105463 |
---|
Frequency | 25.6 |
---|
Structure | |
---|
Chemical Formula | C9H14N2O7S |
---|
Molecular Mass | 294.0522 |
---|
SMILES | NC(CSC(CC(=O)O)C(=O)O)C(=O)NCC(=O)O |
---|
InChI Key | PRPAQOQDXFOXAU-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 | acyl glycines |
---|
Geometric Descriptor | aliphatic acyclic compounds |
---|
Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdipeptidesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
---|
Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
---|