CID 131758447
1-lignoceroyl-2-eicsoatetraenoyl-3-lignoceroyl-glycerol
Structural Information
- Molecular Formula
- C71H130O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44-
- InChIKey
- OKTLPMREZBVAFO-PLXMHZSSSA-N
- Compound name
- [2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-tetracosanoyloxypropyl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1079.9940 | 355.3 |
[M+Na]+ | 1101.9759 | 358.3 |
[M-H]- | 1077.9794 | 335.1 |
[M+NH4]+ | 1097.0205 | 363.5 |
[M+K]+ | 1117.9499 | 372.1 |
[M+H-H2O]+ | 1061.9840 | 354.6 |
[M+HCOO]- | 1123.9849 | 348.2 |
[M+CH3COO]- | 1138.0006 | 347.8 |
[M+Na-2H]- | 1099.9614 | 329.8 |
[M]+ | 1078.9862 | 358.9 |
[M]- | 1078.9872 | 358.9 |
Literature stripe
Patent stripe
No patent data available for this compound.