| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:58 UTC |
|---|
| Update Date | 2025-03-25 00:58:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230921 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H37NO6S |
|---|
| Molecular Mass | 443.2342 |
|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)Nc1ccc(OS(=O)(=O)O)cc1O |
|---|
| InChI Key | FTNHEXNJVYSGSI-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsanilidescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
