| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:45 UTC |
|---|
| Update Date | 2025-03-25 00:46:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157461 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H18O5S |
|---|
| Molecular Mass | 250.0875 |
|---|
| SMILES | O=C(O)CCCCCC1C(O)CCS1(=O)=O |
|---|
| InChI Key | SIBNOJAHGNTPOL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfonesthiolanes |
|---|
| Substituents | thiolanealcoholfatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundorganooxygen compoundsulfone |
|---|
