| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:42 UTC |
|---|
| Update Date | 2025-03-25 00:58:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232605 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H30N2O8S |
|---|
| Molecular Mass | 458.1723 |
|---|
| SMILES | CCC1C(=O)NC(Cc2[nH]c(CCCC(=O)OS(=O)(=O)O)c(CCC(=O)O)c2C)C1C |
|---|
| InChI Key | BJOBXDAMNKFKMW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | sulfuric acid esters |
|---|
| Direct Parent | sulfuric acid monoesters |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonesulfuric acid monoestercarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
