| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:01:00 UTC |
|---|
| Update Date | 2025-03-21 18:06:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00064506 |
|---|
| Frequency | 47.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15NO6S |
|---|
| Molecular Mass | 265.062 |
|---|
| SMILES | CSCCC(NC(CC(=O)O)C(=O)O)C(=O)O |
|---|
| InChI Key | ZETLHNFESYIWIO-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 | methionine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminethia fatty acidorganic oxygen compoundthioethermethionine or derivativesaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
