1AG
Summary
| Name: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
| Formula: | C23 H38 O4 |
| Formal charge: | 0 |
| Formula weight: | 378.545 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
| OpenEye OEToolkits | 1.7.0 | [(2S)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.370 | CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | DCPCOKIYJYGMDN-HUDVFFLJSA-N |
