1. Primary Information
| English name: | (5Z,5'Z,8Z,8'Z,11Z,11'Z,14Z,14'Z,17Z,17'Z)-5,8,11,14,17-eicosapentaenoic acid, 2-hydroxy-1,3-propanediyl ester |
| CAS No.: | 140670-41-3 |
| Molecular formula: | C43H64O5 |
| Molecular weight: | 661.0 g/mol |
| SMILES: | CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >99% | 10096 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
4.2 InChI
InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,41,44H,3-4,9-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-
4.3 InChIKey
TXYVJIXIUGRAFF-LPEZNXMBSA-N
4.4 Canonical SMILES
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)O
4.5 Isomeric SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
