| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:16 UTC |
|---|
| Update Date | 2025-03-25 00:54:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208737 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H20N3O2S+ |
|---|
| Molecular Mass | 258.1271 |
|---|
| SMILES | CC(C(=O)O)C(Cc1c[nH]c(=S)[nH]1)[N+](C)(C)C |
|---|
| InChI Key | UANQYOQPWCLSCQ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azolines |
|---|
| Subclass | imidazolines |
|---|
| Direct Parent | imidazolethiones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsthioureas |
|---|
| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltazoletetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
