| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:49 UTC |
|---|
| Update Date | 2025-03-21 18:41:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135919 |
|---|
| Frequency | 18.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO7S |
|---|
| Molecular Mass | 305.0569 |
|---|
| SMILES | NC(CSC1CC(O)=CC(=O)C1(O)CC(=O)O)C(=O)O |
|---|
| InChI Key | XKUCEWKHCMMYGC-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | acyloinsalpha amino acidscarboxylic acidscyclohexenonesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcoholsthia fatty acidsvinylogous acids |
|---|
| Substituents | fatty acylcyclohexenonecarbonyl groupcarboxylic acidcyclic ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethervinylogous acidtertiary alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativesacyloinaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
