CID 52924819
Pe(22:4(7z,10z,13z,16z)/18:4(6z,9z,12z,15z))
Structural Information
- Molecular Formula
- C45H74NO8P
- SMILES
- CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,25,27-28,30,43H,3-5,7,9-10,15-16,20,24,26,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-/t43-/m1/s1
- InChIKey
- GYNYSVQYMSSLOC-URPYSLDFSA-N
- Compound name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 788.52248 | 280.8 |
[M+Na]+ | 810.50442 | 286.8 |
[M+NH4]+ | 805.54902 | 285.5 |
[M+K]+ | 826.47836 | 287.3 |
[M-H]- | 786.50792 | 274.7 |
[M+Na-2H]- | 808.48987 | 281.7 |
[M]+ | 787.51465 | 281.2 |
[M]- | 787.51575 | 281.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.