4R8
Summary
| Name: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid |
| Synonyms: | 4-OXODOCOSAHEXAENOIC ACID |
| Formula: | C22 H32 O3 |
| Formal charge: | 0 |
| Formula weight: | 344.488 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid |
| OpenEye OEToolkits | 1.5.0 | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C/C=C/CC\C=C/C\C=C/C\C=C/C\C=C/CC)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC\C=C/C/C=C\C\C=C/C/C=C\CC\C=C\CC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.341 | CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+ |
| InChIKey | InChI | 1.03 | MTWLPOVQRMKOLI-IIFHDYRKSA-N |
