| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:49 UTC |
|---|
| Update Date | 2025-03-25 00:46:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155413 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H23N3O5PS+ |
|---|
| Molecular Mass | 400.1091 |
|---|
| SMILES | Cc1nc[n+](Cc2csc(CCOP(=O)(O)O)c2C)c(C)c1CC(N)=O |
|---|
| InChI Key | RREZMEGEMDAMJQ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic phosphoric acids and derivatives |
|---|
| Subclass | phosphate esters |
|---|
| Direct Parent | monoalkyl phosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrimidines and pyrimidine derivativesthiophenes |
|---|
| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundthiophenecarboxamide groupcarboxylic acid derivativepyrimidineorganic oxideorganic oxygen compoundmonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
