| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:11 UTC |
|---|
| Update Date | 2025-03-25 00:53:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201668 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20N2O4PS+ |
|---|
| Molecular Mass | 343.0876 |
|---|
| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1CC(N)c1ccccc1 |
|---|
| InChI Key | CWBBFDMAGAJKKQ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | thiazoles |
|---|
| Direct Parent | 4,5-disubstituted thiazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganic cationorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
