E2P
Summary
| Name: | PROSTAGLANDIN B2 |
| Formula: | C20 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 334.45 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid |
| OpenEye OEToolkits | 1.5.0 | (Z)-7-[2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=C(/C=C/C(O)CCCCC)CC1)C\C=C/CCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1 |
| SMILES | CACTVS | 3.341 | CCCCC[CH](O)C=CC1=C(CC=CCCCC(O)=O)C(=O)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(C=CC1=C(C(=O)CC1)CC=CCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | PRFXRIUZNKLRHM-RYPCXPIFSA-N |
