Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:53 UTC |
---|
Update Date | 2025-03-21 18:35:51 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00107626 |
---|
Frequency | 25.0 |
---|
Structure | |
---|
Chemical Formula | C10H14O5S |
---|
Molecular Mass | 246.0562 |
---|
SMILES | CC(=O)SC1CC(O)C=CC1(O)CC(=O)O |
---|
InChI Key | RWEIYSMAVIXJDA-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | lipids and lipid-like molecules |
---|
Class | fatty acyls |
---|
Subclass | fatty acids and conjugates |
---|
Direct Parent | thia fatty acids |
---|
Geometric Descriptor | aliphatic homomonocyclic compounds |
---|
Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compoundstertiary alcoholsthioestersthiolactones |
---|
Substituents | alcoholthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-estertertiary alcoholorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativehydroxy fatty acidthiolactoneorganooxygen compound |
---|