| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:52:53 UTC |
|---|
| Update Date | 2025-03-21 18:03:38 UTC |
|---|
| HMDB ID | HMDB0060002 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045492 |
|---|
| Name | Indole-3-carboxilic acid-O-sulphate |
|---|
| Frequency | 74.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7NO5S |
|---|
| Molecular Mass | 241.0045 |
|---|
| SMILES | O=C(OS(=O)(=O)O)c1c[nH]c2ccccc12 |
|---|
| InChI Key | BXPGPYRRSKPDOZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfuric acid monoestersvinylogous amides |
|---|
| Substituents | indolecarboxylic acid derivativevinylogous amidesulfuric acid monoesterorganic sulfuric acid or derivativesazacyclepyrrole-3-carboxylic acid or derivativesindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
