| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:48 UTC |
|---|
| Update Date | 2025-03-21 18:35:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00104946 |
|---|
| Frequency | 25.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20N6O5S |
|---|
| Molecular Mass | 384.1216 |
|---|
| SMILES | Nc1ncnc2c1cnn2C1OC(CSCCC(N)C(=O)O)C(O)C1O |
|---|
| InChI Key | JFAKVHBOYWEWJT-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidmonosaccharideorganosulfur compoundpyrazolepyrimidinesaccharideorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidimidolactamorganoheterocyclic compoundazole1,2-diolpyrazolo[3,4-d]pyrimidinealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
