| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:22 UTC |
|---|
| Update Date | 2025-03-25 00:55:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02211434 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H23N3O9P+ |
|---|
| Molecular Mass | 420.1166 |
|---|
| SMILES | CC(=O)NCCNC(=O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1 |
|---|
| InChI Key | OHNJGVFWEVJXPL-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 | 1,2-diolsacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundacetamide1,2-diolpyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
