7EZ
Summary
| Name: | (4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid |
| Formula: | C22 H34 O4 |
| Formal charge: | 0 |
| Formula weight: | 362.503 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid |
| OpenEye OEToolkits | 2.0.6 | (4~{Z},7~{Z},10~{Z},13~{Z},16~{R},19~{Z})-16,17-bis(oxidanyl)docosa-4,7,10,13,19-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC[C@H]=[C@H]CC(O)C(O)C[C@H]=CC/C=C\C/C=C\C/C=C\CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-/t20-,21-/m1/s1 |
| InChIKey | InChI | 1.03 | YXQCSWUATWXVGK-QJJBBLQJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/C[C@@H](O)[C@H](O)C\C=C/C\C=C/C/C=C\C\C=C/CCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC=CCC(C(CC=CCC=CCC=CCC=CCCC(=O)O)O)O |
