| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:39 UTC |
|---|
| Update Date | 2025-03-25 00:51:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184497 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H19N2O9P |
|---|
| Molecular Mass | 366.0828 |
|---|
| SMILES | NC(Cc1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c1)C(=O)O |
|---|
| InChI Key | KNAOBZRMCHBRBM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | pentose phosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssubstituted pyrrolestetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatealpha-amino acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
|---|
