| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:34 UTC |
|---|
| Update Date | 2025-03-21 18:37:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114150 |
|---|
| Frequency | 23.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N4O7 |
|---|
| Molecular Mass | 340.1019 |
|---|
| SMILES | Nc1nc2c(c(CC(=O)O)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
|---|
| InChI Key | YXMHLGVDOCLIAJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | pyrrolopyrimidine nucleosides and nucleotides |
|---|
| Subclass | pyrrolopyrimidine nucleosides and nucleotides |
|---|
| Direct Parent | pyrrolopyrimidine nucleosides and nucleotides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidonespyrrolo[2,3-d]pyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidmonosaccharidepyrimidonesubstituted pyrrolecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpyrrolopyrimidine ribonucleosideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
