CID 131822136
Pa(22:5(7z,10z,13z,16z,19z)/16:1(9z))
Structural Information
- Molecular Formula
- C41H69O8P
- SMILES
- CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O
- InChI
- InChI=1S/C41H69O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,39H,3-4,6,8-10,12,15,19,22-23,26-38H2,1-2H3,(H2,44,45,46)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-/t39-/m1/s1
- InChIKey
- VWGFJWYUMIHJCW-XEKVEGESSA-N
- Compound name
- [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 721.48028 | 269.5 |
[M+Na]+ | 743.46222 | 273.3 |
[M-H]- | 719.46572 | 261.9 |
[M+NH4]+ | 738.50682 | 275.2 |
[M+K]+ | 759.43616 | 274.3 |
[M+H-H2O]+ | 703.47026 | 259.9 |
[M+HCOO]- | 765.47120 | 274.3 |
[M+CH3COO]- | 779.48685 | 276.6 |
[M+Na-2H]- | 741.44767 | 250.1 |
[M]+ | 720.47245 | 267.0 |
[M]- | 720.47355 | 267.0 |
Literature stripe
Patent stripe
No patent data available for this compound.