| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:50 UTC |
|---|
| Update Date | 2025-03-21 18:03:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047748 |
|---|
| Frequency | 69.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N4O12S |
|---|
| Molecular Mass | 454.0642 |
|---|
| SMILES | Nc1c(C(=O)NC(CC(=O)O)C(=O)O)ncn1C1OC(COS(=O)(=O)O)C(O)C1O |
|---|
| InChI Key | WEOYXTMLPZPGSI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | imidazole ribonucleosides and ribonucleotides |
|---|
| Subclass | 1-ribosyl-imidazolecarboxamides |
|---|
| Direct Parent | 1-ribosyl-imidazolecarboxamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols2-heteroaryl carboxamidesalkyl sulfatesalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesterstetrahydrofuransvinylogous amides |
|---|
| Substituents | carbonyl groupsulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivative2-heteroaryl carboxamidesaccharideorganic oxideimidazolealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazole1,2-dioln-substituted imidazolen-acyl-alpha amino acid or derivativesalcoholvinylogous amideorganic sulfuric acid or derivativesazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundcarboxamide group1-ribosyl-imidazolecarboxamideoxacyclesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
|---|
