| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:52 UTC |
|---|
| Update Date | 2025-03-25 00:50:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180503 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H20NO6S+ |
|---|
| Molecular Mass | 294.1006 |
|---|
| SMILES | C[N+](C)(C)C(CCC(=O)O)OC(=O)CSCC(=O)O |
|---|
| InChI Key | AWTJVBHIFFPKSV-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstetraalkylammonium saltsthiodiacetic acid derivatives |
|---|
| Substituents | aliphatic acyclic compoundthiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compoundtetraalkylammonium saltdialkylthioethertricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganic oxygen compoundthioethercarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
|---|
