| 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 | RI00062861 |
|---|
|
| Compound Identification |
|---|
| Common Name | Malonyl-CoA |
|---|
| Structure | |
|---|
| Average Molecular Weight | 853.1156 |
|---|
| SMILES | CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O |
|---|
|
| Physical Properties |
|---|
| Predicted Properties | | Property | Value | Reference |
|---|
| Retention Index | 4275.6616 |
|
|---|
|
| References |
|---|
| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
|---|
