| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:43:28 UTC |
|---|
| Update Date | 2025-03-21 17:59:45 UTC |
|---|
| HMDB ID | HMDB0014011 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023076 |
|---|
| Name | 5'-O-Desmethyl omeprazole |
|---|
| Frequency | 254.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17N3O3S |
|---|
| Molecular Mass | 331.0991 |
|---|
| SMILES | COc1c(C)cnc(CS(=O)c2nc3ccc(O)cc3[nH]2)c1C |
|---|
| InChI Key | TWXDTVZNDQKCOS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
|---|
| Substituents | etherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
