5OP
Summary
| Name: | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID |
| Synonyms: | 15-OXO-PGE2 |
| Formula: | C20 H30 O5 |
| Formal charge: | 0 |
| Formula weight: | 350.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid |
| OpenEye OEToolkits | 1.5.0 | 7-[(1S,2S,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC/C=C/CC1C(=O)CC(O)C1\C=C\C(=O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)\C=C\[C@@H]1C(O)CC(=O)[C@H]1CC=CCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)C=C[CH]1C(O)CC(=O)[CH]1CC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+ |
| InChIKey | InChI | 1.03 | YRTJDWROBKPZNV-SFTOQRQMSA-N |
