5HE
Summary
| Name: | (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid |
| Formula: | C20 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 318.45 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid |
| OpenEye OEToolkits | 1.5.0 | (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCC(O)/C=C/C=C\C\C=C/C\C=C/C\C=C/CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC\C=C/C/C=C\C\C=C/C/C=C\C=C\[C@H](O)CCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCC=CCC=CCC=CCC=CC=C[CH](O)CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | FTAGQROYQYQRHF-CBVHGRPESA-N |
