CID 56939850
1-(9z,12z-heptadecadienoyl)-2-(9z-octadecenoyl)-3-(6z,9z,12z,15z-octadecatetraenoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C56H94O6
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-29,34,37,53H,4-6,8-9,11-14,17,20-23,30-33,35-36,38-52H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,29-26-,37-34-/t53-/m1/s1
- InChIKey
- NHWGNWZMEUGSIX-ALCPIMKPSA-N
- Compound name
- [(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 863.71228 | 308.4 |
[M+Na]+ | 885.69422 | 315.5 |
[M-H]- | 861.69772 | 296.0 |
[M+NH4]+ | 880.73882 | 317.4 |
[M+K]+ | 901.66816 | 321.9 |
[M+H-H2O]+ | 845.70226 | 309.0 |
[M+HCOO]- | 907.70320 | 308.9 |
[M+CH3COO]- | 921.71885 | 309.4 |
[M+Na-2H]- | 883.67967 | 289.2 |
[M]+ | 862.70445 | 309.0 |
[M]- | 862.70555 | 309.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.