| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:13 UTC |
|---|
| Update Date | 2025-03-21 18:37:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118169 |
|---|
| Frequency | 22.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H15NO4S |
|---|
| Molecular Mass | 221.0722 |
|---|
| SMILES | NCCSCC(CCC(=O)O)C(=O)O |
|---|
| InChI Key | BLKGKPRHNAQFKW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | branched fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativebranched fatty acidorganic oxideorganic oxygen compoundthioetherorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
