| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:14 UTC |
|---|
| Update Date | 2025-03-21 18:33:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093807 |
|---|
| Frequency | 29.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13N4O2S+ |
|---|
| Molecular Mass | 265.0754 |
|---|
| SMILES | Cc1ncc(C[n+]2csc(CC(=O)O)c2)c(N)n1 |
|---|
| InChI Key | JJWJQFHPWABGPK-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidines and pyrimidine derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsprimary aminesthiazoles |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
|---|
