| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:36 UTC |
|---|
| Update Date | 2025-03-25 00:54:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207176 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10N6O2S |
|---|
| Molecular Mass | 266.0586 |
|---|
| SMILES | Nc1nc(SCC(N)C(=O)O)nc2nccnc12 |
|---|
| InChI Key | CGJSNHBAPGSKSO-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 | alkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspteridines and derivativespyrazinespyrimidines and pyrimidine derivativessulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidalkylarylthioetherorganosulfur compoundpteridinearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrazinecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
