| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:51 UTC |
|---|
| Update Date | 2025-03-25 00:55:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02210142 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H17NO4S |
|---|
| Molecular Mass | 235.0878 |
|---|
| SMILES | CC(O)C=CCCCC(O)=NS(C)(=O)=O |
|---|
| InChI Key | SZQHQWKWAFGRTD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfonic acids and derivatives |
|---|
| Subclass | organosulfonic acids and derivatives |
|---|
| Direct Parent | organosulfonic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfonyls |
|---|
| Substituents | alcoholaliphatic acyclic compoundorganosulfonic acid or derivativesorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
