| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:17 UTC |
|---|
| Update Date | 2025-03-25 00:50:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179135 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17N5O5S2 |
|---|
| Molecular Mass | 375.0671 |
|---|
| SMILES | CSCSc1nc2c(=O)[nH]c(N)nc2n1C1OC(CO)C(O)C1O |
|---|
| InChI Key | WRHWAXWSFQUTQD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleosides |
|---|
| Subclass | purine nucleosides |
|---|
| Direct Parent | purine nucleosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersazacyclic compoundsdialkylthioethersdithioacetalsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespurines and purine derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
|---|
| Substituents | lactammonosaccharidepyrimidoneimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofurandialkylthioetherpurine nucleosideheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhypoxanthinehydrocarbon derivativethioacetalprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
|---|
