| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:30 UTC |
|---|
| Update Date | 2025-03-21 18:38:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123486 |
|---|
| Frequency | 20.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H47NO6P+ |
|---|
| Molecular Mass | 452.3136 |
|---|
| SMILES | CCCCCCCCCCCCC=CC(O)C(O)COP(=O)(O)OCC[N+](C)(C)C |
|---|
| InChI Key | JDTROAJXFYKITM-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | quaternary ammonium salts |
|---|
| Direct Parent | phosphocholines |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolsaminesdialkyl phosphateshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | alcoholaliphatic acyclic compoundtetraalkylammonium saltphosphocholinedialkyl phosphateorganic oxideorganic oxygen compoundphosphoric acid estersecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound1,2-diol |
|---|
