| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:12 UTC |
|---|
| Update Date | 2025-03-25 00:50:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181271 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H19NO4S |
|---|
| Molecular Mass | 261.1035 |
|---|
| SMILES | O=C(O)CN=C(O)CCCCC1CC(O)CS1 |
|---|
| InChI Key | MRQWHXFXLRGHPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsthiolanes |
|---|
| Substituents | thiolanealcoholcarboximidic acidcarbonyl groupcarboxylic aciddialkylthioetherorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
