7MS
Summary
| Name: | (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid |
| Formula: | C20 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 336.466 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid |
| OpenEye OEToolkits | 2.0.6 | (5~{Z},11~{Z},14~{Z},17~{R},18~{R})-17,18-bis(oxidanyl)icosa-5,8,11,14-tetraenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(O)C(O)C[C@H]=CC[C@H]=[C@H]C[C@H]=[C@H]C/C=C\CCCC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | XYDVGNAQQFWZEF-VXNZHGHESA-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/CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C(CC=CCC=CCC=CCC=CCCCC(=O)O)O)O |
