7LE
Summary
| Name: | (5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-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,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid |
| OpenEye OEToolkits | 2.0.6 | (5~{Z},11~{Z},14~{R},15~{R},17~{Z})-14,15-bis(oxidanyl)icosa-5,8,11,17-tetraenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [C@H](C\C=C/CC(O)C(CC=[C@H]CC)O)=[C@H]C[C@H]=CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3-,13-10-/t18-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | BLWCDFIELVFRJY-OWQBLLPTSA-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/CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC=CCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O |
