CID 56938519
1-(9z-tetradecenoyl)-2-(9z,12z-heptadecadienoyl)-3-(6z,9z,12z,15z-octadecatetraenoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C52H86O6
- SMILES
- CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
- InChI
- InChI=1S/C52H86O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,14-19,23-26,30,33,49H,4-6,8-9,11-13,20-22,27-29,31-32,34-48H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,25-23-,26-24-,33-30-/t49-/m1/s1
- InChIKey
- DQRZYZGFFDUHLD-QTYGYTHPSA-N
- Compound name
- [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]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]+ | 807.64974 | 296.6 |
[M+Na]+ | 829.63168 | 304.3 |
[M-H]- | 805.63518 | 285.6 |
[M+NH4]+ | 824.67628 | 305.6 |
[M+K]+ | 845.60562 | 309.0 |
[M+H-H2O]+ | 789.63972 | 297.4 |
[M+HCOO]- | 851.64066 | 298.5 |
[M+CH3COO]- | 865.65631 | 299.1 |
[M+Na-2H]- | 827.61713 | 278.7 |
[M]+ | 806.64191 | 296.7 |
[M]- | 806.64301 | 296.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.