 |
| Ligand Name: delta12-prostaglandine J2 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1225 |
PubChem:
6442342
|
Synonym(s):
- (5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
- prosta-5,9,12-trien-1-oic acid, 15-hydroxy-11-oxo-, (5z,15s)-
- zinc100612358
- 97588-64-2
- q27464443
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1235313 |
| Canonical SMILES: CCCCC[C@H](O)C\C=C1\[C@@H](C\C=C/CCCC(O)=O)C=CC1=O |
| Standard InChI: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1 |
| Molecular Formula: C20H30O4 |
Mol. Weight: 334.21442 |
logP: 4.2004 |
| HBD: 2 | HBA: 3 |
| #Rotatable Bonds: 12 | TPSA: 74.6 |