| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:31 UTC |
|---|
| Update Date | 2025-03-21 18:38:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123517 |
|---|
| Frequency | 20.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H21N5O3S |
|---|
| Molecular Mass | 315.1365 |
|---|
| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ncc(CN(C)C)o1 |
|---|
| InChI Key | GTRBKHYXPDLUOV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | oxazoles |
|---|
| Direct Parent | 2,5-disubstituted oxazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aralkylaminesazacyclic compoundsc-nitro compoundsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstrialkylamines |
|---|
| Substituents | aromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compound2,5-disubstituted 1,3-oxazolearalkylamineorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumtertiary aminesecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundsecondary amineoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
|---|
