| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:21 UTC |
|---|
| Update Date | 2025-03-21 18:41:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00132630 |
|---|
| Frequency | 19.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N2O4S |
|---|
| Molecular Mass | 244.0518 |
|---|
| SMILES | Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1 |
|---|
| InChI Key | BOTJQCGWLRDIML-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 | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary amines |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
