PTG
Summary
| Name: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid |
| Synonyms: | 15-deoxy-delta(12,14)-prostaglandin J2 |
| Formula: | C20 H28 O3 |
| Formal charge: | 0 |
| Formula weight: | 316.435 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5E,12Z,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-7-[(1S)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C\1C=CC(C/1=C\C=C\CCCCC)C/C=C/CCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C\C=C/1[C@@H](C\C=C\CCCC(O)=O)C=CC/1=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | VHRUMKCAEVRUBK-XOVNXQNQSA-N |
