OCR
Summary
| Name: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
| Synonyms: | 15-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,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
| OpenEye OEToolkits | 1.5.0 | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(\C=C\C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+ |
| InChIKey | InChI | 1.03 | YGJTUEISKATQSM-KIFLIQHDSA-N |
