| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:12 UTC |
|---|
| Update Date | 2025-03-21 18:01:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031829 |
|---|
| Frequency | 115.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19N3O6S |
|---|
| Molecular Mass | 345.0995 |
|---|
| SMILES | NC(CCSCC1OC(n2ccc(=O)[nH]c2=O)CC1O)C(=O)O |
|---|
| InChI Key | NJBRKWYMMHWDFB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | 2',5'-dideoxyribonucleosides |
|---|
| Subclass | 2',5'-dideoxyribonucleosides |
|---|
| Direct Parent | 2',5'-dideoxyribonucleosides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acidsvinylogous amides |
|---|
| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound2',5'-dideoxyribonucleosidemonosaccharidepyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
