| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:31:12 UTC |
|---|
| Update Date | 2025-03-21 18:41:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00136796 |
|---|
| Frequency | 18.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15N3O6PS+ |
|---|
| Molecular Mass | 348.0414 |
|---|
| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1c[nH]c(=O)[nH]c1=O |
|---|
| InChI Key | UXCBCOMEILLGQT-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | lactamaromatic heteromonocyclic compoundpyrimidoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
