CID 56939112
1-pentadecanoyl-2-heneicosanoyl-3-(13z,16z-docosadienoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C61H114O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,58H,4-15,17-18,20-24,26,28-57H2,1-3H3/b19-16-,27-25-/t58-/m1/s1
- InChIKey
- UGQCYLPNGQUROY-AXEKVZIJSA-N
- Compound name
- [(2R)-2-henicosanoyloxy-3-pentadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 943.86878 | 332.4 |
[M+Na]+ | 965.85072 | 335.6 |
[M-H]- | 941.85422 | 314.0 |
[M+NH4]+ | 960.89532 | 339.8 |
[M+K]+ | 981.82466 | 346.4 |
[M+H-H2O]+ | 925.85876 | 332.2 |
[M+HCOO]- | 987.85970 | 326.8 |
[M+CH3COO]- | 1001.8754 | 326.5 |
[M+Na-2H]- | 963.83617 | 308.9 |
[M]+ | 942.86095 | 334.6 |
[M]- | 942.86205 | 334.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.