| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:07 UTC |
|---|
| Update Date | 2025-03-25 00:54:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206086 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13N2O3S+ |
|---|
| Molecular Mass | 241.0641 |
|---|
| SMILES | NC(=O)c1ccc[n+](C2SCC(O)C2O)c1 |
|---|
| InChI Key | PVTMIQZZPKJKDF-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholsthiolanesvinylogous amides |
|---|
| Substituents | thiolaneprimary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amideazacycledialkylthioetherheteroaromatic compoundhydroxypyridinecarboxamide grouporganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
