| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:48:47 UTC |
|---|
| Update Date | 2025-03-21 18:01:57 UTC |
|---|
| HMDB ID | HMDB0127746 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00035619 |
|---|
| Name | 4-hydroxy-5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid |
|---|
| Frequency | 99.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O8S |
|---|
| Molecular Mass | 306.0409 |
|---|
| SMILES | O=C(O)CCC(O)Cc1ccc(O)c(OS(=O)(=O)O)c1 |
|---|
| InChI Key | HROSNTXKMPHTSL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | sulfated fatty acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | carbocyclic fatty acidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativemedium-chain hydroxy acidphenylsulfateorganic oxidemedium-chain fatty acidhydroxy fatty acidarylsulfatealcoholorganic sulfuric acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
