| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:07 UTC |
|---|
| Update Date | 2025-03-25 00:47:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160439 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N2O3S |
|---|
| Molecular Mass | 282.1038 |
|---|
| SMILES | Nc1ccc(S(=O)(=O)CCCN2CCCC2=O)cc1 |
|---|
| InChI Key | AJXJPXIQAQIWHI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonyl compounds |
|---|
| Direct Parent | benzenesulfonyl compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsprimary aminespyrrolidine-2-onessulfonestertiary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundbenzenesulfonyl groupazacyclen-alkylpyrrolidinecarboxamide groupsulfonylorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
|---|
