| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:00 UTC |
|---|
| Update Date | 2025-03-25 00:45:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151133 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO4S |
|---|
| Molecular Mass | 243.0565 |
|---|
| SMILES | Cc1ncc(CSCCO)c(C(=O)O)c1O |
|---|
| InChI Key | RUZZUHZPZGVQMY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesalcohols and polyolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compoundsvinylogous acids |
|---|
| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinealcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
