| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:41 UTC |
|---|
| Update Date | 2025-03-25 00:56:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02216760 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO5S |
|---|
| Molecular Mass | 235.0514 |
|---|
| SMILES | CCC(SCC(=O)C(=O)O)C(N)C(=O)O |
|---|
| InChI Key | CFSQWAFWVVTYQC-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 acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidsulfenyl compounddialkylthioetherbranched fatty acidthia fatty acidorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
