| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:08 UTC |
|---|
| Update Date | 2025-03-25 00:48:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02167351 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H21NO3S |
|---|
| Molecular Mass | 259.1242 |
|---|
| SMILES | CC(=O)NC1CCSC1CCCCCC(=O)O |
|---|
| InChI Key | INOBBQFTNJMSDY-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 heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiolanes |
|---|
| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioethercarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
|---|
