| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:55 UTC |
|---|
| Update Date | 2025-03-21 18:31:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00088214 |
|---|
| Frequency | 32.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17N5O4 |
|---|
| Molecular Mass | 307.1281 |
|---|
| SMILES | N=c1[nH]c(=O)c2c(CNC3C(CO)=CC(O)C3O)c[nH]c2[nH]1 |
|---|
| InChI Key | RQWADXDYHZZPKK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolopyrimidines |
|---|
| Subclass | pyrrolo[2,3-d]pyrimidines |
|---|
| Direct Parent | pyrrolo[2,3-d]pyrimidines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrimidonespyrrolessecondary alcoholsvinylogous amides |
|---|
| Substituents | alcoholvinylogous amidesecondary aliphatic aminelactamazacycleheteroaromatic compoundpyrimidonesecondary aminepyrimidineorganic oxidepyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
