OCX
Summary
| Name: | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid |
| Synonyms: | 8-oxo-eicosatetraenoic acid |
| Formula: | C20 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 318.45 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid |
| OpenEye OEToolkits | 1.5.0 | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(\C=C\C=C\C/C=C/CCCCC)C/C=C/CCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C\C\C=C\C=C\C(=O)C\C=C\CCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CCC=CC=CC(=O)CC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CCC=CC=CC(=O)CC=CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13? |
| InChIKey | InChI | 1.03 | ULAXHDZCBOQYGV-IXYQYOLGSA-N |
