| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:40 UTC |
|---|
| Update Date | 2025-03-25 00:46:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157260 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10N2O6S |
|---|
| Molecular Mass | 286.026 |
|---|
| SMILES | O=C1CN(c2ccc(OS(=O)(=O)O)cc2)CC(=O)N1 |
|---|
| InChI Key | IHPKZBGDYBMABE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazinanes |
|---|
| Subclass | piperazines |
|---|
| Direct Parent | phenylpiperazines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesdicarboximidesdioxopiperazineshydrocarbon derivativesn-arylpiperazinesn-unsubstituted carboxylic acid imidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativephenylsulfatecarboxylic acid imide, n-unsubstitutedorganic oxidedioxopiperazinetertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatedicarboximidedialkylarylaminetertiary amineorganic sulfuric acid or derivativesazacycleaniline or substituted anilinescarboxylic acid imidephenylpiperazineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminen-arylpiperazineorganooxygen compound |
|---|
