| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:37 UTC |
|---|
| Update Date | 2025-03-25 00:50:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182215 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N4O7 |
|---|
| Molecular Mass | 314.0862 |
|---|
| SMILES | O=C(O)C1Cc2c(n(C3OC(CO)C(O)C3O)nnc2=O)N1 |
|---|
| InChI Key | TVWQIODIWZZXJN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2,3-triazinesamino acidsaminotriazinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofuranstriazinonesvinylogous amides |
|---|
| Substituents | carbonyl groupcarboxylic acid1,2,3-triazineamino acidmonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundamino-1,2,3-triazinesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholtriazinehydrocarbon derivativeorganic nitrogen compoundtriazinoneorganooxygen compoundamine |
|---|
