| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2023-04-11 00:00:00 UTC |
|---|
| Updated at | 2023-04-11 00:00:00 UTC |
|---|
| RI-Pred ID | RI01665666 |
|---|
|
| Compound Identification |
|---|
| Common Name | PS(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) |
|---|
| Structure | |
|---|
| Average Molecular Weight | 819.4686 |
|---|
| SMILES | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCC(=O)\C=C\C=C/C\C=C/C\C=C/CCCCC |
|---|
|
| Physical Properties |
|---|
| Predicted Properties | | Property | Value | Reference |
|---|
| Retention Index | 5111.215 |
|
|---|
|
| References |
|---|
| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
|---|
