| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:38 UTC |
|---|
| Update Date | 2025-03-21 18:35:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00104560 |
|---|
| Frequency | 25.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14O4S |
|---|
| Molecular Mass | 194.0613 |
|---|
| SMILES | O=C(O)CCCC(O)C(O)CS |
|---|
| InChI Key | IHKHRPUWPOWIER-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 acyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcoholsthia fatty acids |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidalkylthiolorganooxygen compound1,2-diol |
|---|
