| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:44 UTC |
|---|
| Update Date | 2025-03-25 00:54:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207479 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10N4O3S |
|---|
| Molecular Mass | 254.0474 |
|---|
| SMILES | Nc1nc(=O)c2c([nH]1)NC1C(C(=O)O)SCC21 |
|---|
| InChI Key | OYZHBMAACZBGBH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolopyrimidines |
|---|
| Subclass | pyrrolopyrimidines |
|---|
| Direct Parent | pyrrolopyrimidines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolessecondary alkylarylaminesthiolanesvinylogous amides |
|---|
| Substituents | thiolanecarbonyl groupcarboxylic acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycledialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
