| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:19 UTC |
|---|
| Update Date | 2025-03-25 01:01:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250132 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N3OS |
|---|
| Molecular Mass | 211.0779 |
|---|
| SMILES | CSCCNc1ccncc1C(N)=O |
|---|
| InChI Key | FEAZOVVDCWWSGZ-UHFFFAOYSA-N |
|---|
| 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 | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessecondary alkylarylaminessulfenyl compoundsvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamideorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmethylpyridinesecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
