| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:50 UTC |
|---|
| Update Date | 2025-03-25 00:53:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198567 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H31N3O7S |
|---|
| Molecular Mass | 445.1883 |
|---|
| SMILES | CC(C)CN(CC(NC(=O)OC1CCOC1)C(O)CO)S(=O)(=O)c1ccc(N)cc1 |
|---|
| InChI Key | KJZSYIRMIMHTKY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsaminosulfonyl compoundsbenzenesulfonyl compoundscarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsprimary alcoholsprimary aminessecondary alcoholstetrahydrofurans |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compound1,2-diolbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
