CID 56936472
1-dodecanoyl-2,3-di-(6z,9z,12z,15z-octadecatetraenoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C51H82O6
- SMILES
- CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C51H82O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29-30,32-33,48H,4-6,9,12-15,18,21-22,27-28,31,34-47H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,32-29-,33-30-/t48-/m1/s1
- InChIKey
- QRNBTMQBVNWJRF-GWNFAHRMSA-N
- Compound name
- [(2R)-3-dodecanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 791.61843 | 292.0 |
[M+Na]+ | 813.60037 | 300.5 |
[M-H]- | 789.60387 | 282.2 |
[M+NH4]+ | 808.64497 | 301.4 |
[M+K]+ | 829.57431 | 304.3 |
[M+H-H2O]+ | 773.60841 | 293.0 |
[M+HCOO]- | 835.60935 | 295.1 |
[M+CH3COO]- | 849.62500 | 295.4 |
[M+Na-2H]- | 811.58582 | 275.0 |
[M]+ | 790.61060 | 291.9 |
[M]- | 790.61170 | 291.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.