CID 131761055
Tracylglycerol(20:1/14:0/24:1)
Structural Information
- Molecular Formula
- C61H114O6
- SMILES
- CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,58H,4-23,28-57H2,1-3H3/b26-24-,27-25-/t58-/m0/s1
- InChIKey
- IGNHERGRXWPMJH-SUORVOMPSA-N
- Compound name
- [(2R)-3-[(Z)-icos-11-enoyl]oxy-2-tetradecanoyloxypropyl] (Z)-tetracos-15-enoate
- 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
Patent stripe
No patent data available for this compound.