Bioactive Compound Details
| BioID | bio198716 |
|---|---|
| Name | SN-GLYCEROL-1-EICOSA-9,12-DIENOATE-2-PALMITOLEATE-3-LINOLEATE |
| ChEMBL ID | CHEMBL2288886 |
| Molecular Formula | C56H102O9 |
| Molecular Weight | 919.42 |
| Molecular Weight (Monoisotopic) | 918.7524 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | O=C(O)CCCCCCC/C=C\C/C=C\CCCCCOCC(COCCCCCCCCCCCCCCCCCCC(=O)O)OCCCCCC/C=C\CCCCCCCC(=O)O |
| Inchi | InChI=1S/C56H102O9/c57-54(58)45-39-33-27-21-15-9-4-1-2-6-12-18-24-30-36-42-48-63-51-53(65-50-44-38-32-26-20-14-8-11-17-23-29-35-41-47-56(61)62)52-64-49-43-37-31-25-19-13-7-3-5-10-16-22-28-34-40-46-55(59)60/h3,5,8,13-14,19,53H,1-2,4,6-7,9-12,15-18,20-52H2,(H,57,58)(H,59,60)(H,61,62)/b5-3-,14-8-,19-13- |
| Inchi Key | WCHVHIDODQSZQQ-VEWCSRGFSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.37 |
| Records Key | ['page no 229, R25C1'] |
| Records Name | ['sn-glycerol-1-eicosa-9,12-dienoate-2-palmitoleate-3-linoleate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
