| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:13 UTC |
|---|
| Update Date | 2025-03-25 00:47:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02165237 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H19N5O6 |
|---|
| Molecular Mass | 353.1335 |
|---|
| SMILES | CC1OC(n2cc(CC(N)C(=O)O)c3c(=O)[nH]c(N)nc32)C(O)C1O |
|---|
| InChI Key | QTEMYYYKHKYQOV-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 | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonespyrrolo[2,3-d]pyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidmonosaccharidepyrimidonealpha-amino acid or derivativessubstituted pyrrolecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpyrrolopyrimidine ribonucleosideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
