| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:32 UTC |
|---|
| Update Date | 2025-03-21 18:36:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109243 |
|---|
| Frequency | 24.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O6S |
|---|
| Molecular Mass | 302.0573 |
|---|
| SMILES | Nc1ccc(S(=O)(=O)N(CCC(=O)O)CC(=O)O)cc1 |
|---|
| InChI Key | QGOULNPWLWTJET-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary amines |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
