| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:19 UTC |
|---|
| Update Date | 2025-03-21 18:03:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044131 |
|---|
| Frequency | 76.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24N2O12P+ |
|---|
| Molecular Mass | 467.1061 |
|---|
| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OC3OC(CO)C(O)C3O)C(O)C2O)c1 |
|---|
| InChI Key | XEWOTRPWTQWQBD-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 compoundscarboxylic acids and derivativesdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycledialkyl phosphatepyridineorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
