| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:00 UTC |
|---|
| Update Date | 2025-03-25 00:59:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237836 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12N4O3S |
|---|
| Molecular Mass | 280.063 |
|---|
| SMILES | Nc1nc(SCC(N)C(=O)O)nc2ccc(O)cc12 |
|---|
| InChI Key | QAPDAGXLBRIYOV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | cysteine and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativesquinazolinaminessulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesquinazolinaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundquinazolineamineorganooxygen compound |
|---|
