| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:20 UTC |
|---|
| Update Date | 2025-03-21 17:59:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00020529 |
|---|
| Frequency | 197.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20N5O2S+ |
|---|
| Molecular Mass | 322.1332 |
|---|
| SMILES | Cc1ncc(C[n+]2csc(CCC(N)C(=O)O)c2C)c(N)n1 |
|---|
| InChI Key | XQGSFQFCIHOXIS-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | thiamines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 4,5-disubstituted thiazolesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidethiamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationimidolactamazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
|---|
