| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:56 UTC |
|---|
| Update Date | 2025-03-25 01:01:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02247011 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO3S |
|---|
| Molecular Mass | 203.0616 |
|---|
| SMILES | CC=C(SCC(N)C(=O)O)C(C)=O |
|---|
| InChI Key | UEXVCOLECZWILQ-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 acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha amino acidsalpha-branched alpha,beta-unsaturated ketonescarboxylic acidsenoneshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioenol ethers |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealpha-branched alpha,beta-unsaturated-ketonesulfenyl compoundmonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
