| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:22 UTC |
|---|
| Update Date | 2025-03-21 18:33:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094105 |
|---|
| Frequency | 29.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N2O15P2 |
|---|
| Molecular Mass | 492.0182 |
|---|
| SMILES | O=C(OP(=O)(O)O)C(O)COP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
|---|
| InChI Key | WXTJCUHXTGGRHM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | pyrimidine nucleotides |
|---|
| Subclass | pyrimidine ribonucleotides |
|---|
| Direct Parent | pyrimidine ribonucleoside monophosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acyl monophosphatesazacyclic compoundscarbonyl compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholssugar acids and derivativestetrahydrofuransvinylogous amides |
|---|
| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxideglyceric_acidorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranacyl monophosphateheteroaromatic compoundoxacycledialkyl phosphatepyrimidine ribonucleoside monophosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundacyl phosphate |
|---|
