| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:24 UTC |
|---|
| Update Date | 2025-03-21 18:07:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067883 |
|---|
| Frequency | 44.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H18N3O2S+ |
|---|
| Molecular Mass | 244.1114 |
|---|
| SMILES | Cn1c(CC(C(=O)O)[N+](C)(C)C)c[nH]c1=S |
|---|
| InChI Key | ZWUKURXIVKQQPD-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesn-substituted imidazolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsthioureas |
|---|
| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundorganic oxideimidazolealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazolen-substituted imidazoletetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
