| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:33 UTC |
|---|
| Update Date | 2025-03-25 00:45:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152417 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16N2O8S2 |
|---|
| Molecular Mass | 332.0348 |
|---|
| SMILES | NC(CCSCC(N)C(=O)OCOS(=O)(=O)O)C(=O)O |
|---|
| InChI Key | LSUKIHYMCJXVPN-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 | alpha amino acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfated fatty acidssulfenyl compoundssulfuric acid monoestersthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativessulfenyl compoundalpha-amino acid esterdialkylthioetherthia fatty acidorganic oxygen compoundsulfated fatty acidthioethercysteine or derivativescarboxylic acid esterdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
