Compound Summary
Compound Information
PC(O-18:0/18:3(9Z,12Z,15Z))
Compound Name: | PC(O-18:0/18:3(9Z,12Z,15Z)) |
Compound CID: | 52923786 |
Synonyms: | PC(O-18:0/18:3(9Z,12Z,15Z)) 1-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphocholine Phenylalanine-betaxanthin LMGP01020205 PC(o16:0/20:3) More... |
Iupac Name: | [(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
InChI: | InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,43H,6-8,10,12-14,16,18-20,22,24-42H2,1-5H3/b11-9-,17-15-,23-21-/t43-/m1/s1 |
InChIKey: | GKKOTWSKEIRXDA-JUUDQZDJSA-N |
Canonical Smiles: | CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC |
Isomeric Smiles: | CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
Molecular Weight: | 770.1 |
Molecular Formula: | C44H84NO7P |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PC(O-18:0/18:3(9Z,12Z,15Z))
Molecular Weight: | 770.1 |
Molecular Formula: | C44H84NO7P |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 41 |
Heavy Atom Count: | 53 |
Complexity: | 938 |
Synonyms
PC(O-18:0/18:3(9Z,12Z,15Z))
| PC(O-18:0/18:3(9Z,12Z,15Z)) | PC(O-18:0/18:3(9Z,12Z,15Z)) |
|---|---|
PC(O-18:0/18:3(9Z,12Z,15Z)) |
1-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphocholine |
Phenylalanine-betaxanthin |
LMGP01020205 |
PC(o16:0/20:3) |
PC(o18:1/18:2) |
PC(o18:2/18:1) |
Experimental Data
PC(O-18:0/18:3(9Z,12Z,15Z))
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | 9.67 | 10.35 | 7.03 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 50 | umol/L | 9.67 | 10.83 | 12 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 100 | umol/L | 9.67 | 10.45 | 8.07 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 25 | umol/L | 9.67 | 11.27 | 16.55 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 25 | umol/L | 8.35 | 9.73 | 16.53 | S | N2 | 32535316 | Active |
Experimental Data Visualization
PC(O-18:0/18:3(9Z,12Z,15Z))
Statistics Data
PC(O-18:0/18:3(9Z,12Z,15Z))
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 16.55 | 1 | 5 |
Statistics Data Visualization
PC(O-18:0/18:3(9Z,12Z,15Z))
