4M5
Summary
| Name: | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid |
| Formula: | C22 H32 O3 |
| Formal charge: | 0 |
| Formula weight: | 344.488 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-15H,2,4,9-10,16-20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3- |
| InChIKey | InChI | 1.03 | XXHHYIQPKMKZSU-BBBWWSJWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/CC(=O)CC\C=C/C/C=C\C\C=C/C\C=C/CCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(=O)O |
