| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:47 UTC |
|---|
| Update Date | 2025-03-25 00:59:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237347 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H23N2O18P3 |
|---|
| Molecular Mass | 600.0159 |
|---|
| SMILES | O=C(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O)C(O)C(O)COP(=O)(O)O |
|---|
| InChI Key | HDOPRTLVSQQZNH-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 | acyloinsalpha-hydroxy ketonesazacyclic compoundsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | beta-hydroxy ketonecarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatepyrimidonealpha-hydroxy ketonepyrimidineketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphateacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
|---|
