CID 56937436
1-dodecanoyl-2-heneicosanoyl-3-(13z,16z-docosadienoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C58H108O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C58H108O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-33-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,55H,4-15,17-18,20-22,24,26-54H2,1-3H3/b19-16-,25-23-/t55-/m1/s1
- InChIKey
- MUFCUKYUWCAVNZ-OUKSQGAOSA-N
- Compound name
- [(2R)-3-dodecanoyloxy-2-henicosanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 901.82188 | 323.7 |
[M+Na]+ | 923.80382 | 327.5 |
[M-H]- | 899.80732 | 306.4 |
[M+NH4]+ | 918.84842 | 331.1 |
[M+K]+ | 939.77776 | 337.0 |
[M+H-H2O]+ | 883.81186 | 323.8 |
[M+HCOO]- | 945.81280 | 319.2 |
[M+CH3COO]- | 959.82845 | 319.3 |
[M+Na-2H]- | 921.78927 | 301.3 |
[M]+ | 900.81405 | 325.5 |
[M]- | 900.81515 | 325.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.