| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:41 UTC |
|---|
| Update Date | 2025-03-25 00:58:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230257 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H23N3OS |
|---|
| Molecular Mass | 329.1562 |
|---|
| SMILES | CN(C)Cc1ccc(CSCCN=C(O)c2cccnc2)cc1 |
|---|
| InChI Key | UNBLVMGDCCZFLJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | nicotinamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aralkylaminesazacyclic compoundsbenzylaminescarboximidic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganooxygen compoundsorganopnictogen compoundsphenylmethylaminespropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstrialkylamines |
|---|
| Substituents | carboximidic acidmonocyclic benzene moietyaromatic heteromonocyclic compoundnicotinamideorganosulfur compoundaralkylaminepropargyl-type 1,3-dipolar organic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridineorganic 1,3-dipolar compoundphenylmethylamineorganic oxygen compoundbenzylaminethioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
