VKV
Summary
| Name: | 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol |
| Synonyms: | 2-Arachidonyl Glycerol Ether |
| Formula: | C23 H40 O3 |
| Formal charge: | 0 |
| Formula weight: | 364.562 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol |
| OpenEye OEToolkits | 2.0.7 | 2-[(5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CO)(OCCCC\C=C/C\C=C/C/C=C\C/C=C\CCCCC)CO |
| InChI | InChI | 1.03 | InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15- |
| InChIKey | InChI | 1.03 | CUJUUWXZAQHCNC-DOFZRALJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCOC(CO)CO |
| SMILES | CACTVS | 3.385 | CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO |
