| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:00 UTC |
|---|
| Update Date | 2025-03-25 00:54:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203539 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21NO4S |
|---|
| Molecular Mass | 287.1191 |
|---|
| SMILES | O=C(O)CCCCCCC1SCC2C(C(=O)O)CN12 |
|---|
| InChI Key | UWYMZXGTQRSABV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | medium-chain fatty acids |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidheterocyclic fatty acidazetidinecarboxylic acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundhemithioaminalorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycledialkylthioetherazetidineorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
|---|
