| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:07 UTC |
|---|
| Update Date | 2025-03-25 01:01:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251961 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H28NO16P2+ |
|---|
| Molecular Mass | 564.0878 |
|---|
| SMILES | O=P(O)(OCC1OC(CO)C(O)C(O)C1O)OP(=O)(O)OCC1OC([n+]2ccc(O)cc2)C(O)C1O |
|---|
| InChI Key | FROAHCGBUAKIOR-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | pyridine nucleotides |
|---|
| Subclass | pyridine nucleotides |
|---|
| Direct Parent | pyridine nucleotides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsdialkyl ethersheteroaromatic compoundshexose phosphateshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | etheraromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholorganoheterocyclic compoundpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
