PG2
Summary
| Name: | PROSTAGLANDIN D2 |
| Synonyms: | (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID |
| Formula: | C20 H32 O5 |
| Formal charge: | 0 |
| Formula weight: | 352.465 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid |
| OpenEye OEToolkits | 1.5.0 | (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1CC(O)C(C\C=C/CCCC(=O)O)C1/C=C/C(O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH](O)C=C[CH]1[CH](CC=CCCCC(O)=O)[CH](O)CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 |
| InChIKey | InChI | 1.03 | BHMBVRSPMRCCGG-OUTUXVNYSA-N |
