7HW
Summary
| Name: | (4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-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,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid |
| OpenEye OEToolkits | 2.0.6 | (4~{Z},10~{Z},13~{Z},16~{Z},19~{R},20~{R})-19,20-bis(oxidanyl)docosa-4,7,10,13,16-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(C(O)C[C@H]=CC/C=C\C[C@H]=[C@H]C[C@H]=[C@H]C[C@H]=CCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7?,10-8-,15-13-,16-14-/t20-,21-/m1/s1 |
| InChIKey | InChI | 1.03 | FFXKPSNQCPNORO-KVZKRMIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](O)[C@H](O)C\C=C/C/C=C\C\C=C/C\C=C/C\C=C/CCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCC=CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C(CC=CCC=CCC=CCC=CCC=CCCC(=O)O)O)O |
