| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-21 00:01:09 UTC |
|---|
| Update Date | 2025-03-21 18:06:44 UTC |
|---|
| HMDB ID | HMDB0240718 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00064880 |
|---|
| Name | Propylparaben sulfate |
|---|
| Frequency | 47.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O6S |
|---|
| Molecular Mass | 260.0355 |
|---|
| SMILES | CCCOC(=O)c1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | WEKBGFBWJOHXKR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
