| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:05 UTC |
|---|
| Update Date | 2025-03-21 17:56:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004062 |
|---|
| Frequency | 1403.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18N2O11P2 |
|---|
| Molecular Mass | 416.0386 |
|---|
| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)C=CC1 |
|---|
| InChI Key | WWRAAGPPXWJOGO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | pyridine nucleotides |
|---|
| Subclass | nicotinamide nucleotides |
|---|
| Direct Parent | nicotinamide nucleotides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotidecarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofurancarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
|---|
