CID 53479795
Pe(20:4(5z,8z,11z,14z)/p-16:0)
Structural Information
- Molecular Formula
- C41H74NO7P
- SMILES
- CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
- InChI
- InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,33,36,40H,3-10,12,14-16,18,20,23-25,27,29-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,28-26-,36-33-/t40-/m1/s1
- InChIKey
- BVLZMCLCCOLUNE-MAIXUNBTSA-N
- Compound name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 724.52754 | 272.9 |
[M+Na]+ | 746.50948 | 277.3 |
[M-H]- | 722.51298 | 263.7 |
[M+NH4]+ | 741.55408 | 275.9 |
[M+K]+ | 762.48342 | 277.6 |
[M+H-H2O]+ | 706.51752 | 262.2 |
[M+HCOO]- | 768.51846 | 277.5 |
[M+CH3COO]- | 782.53411 | 283.8 |
[M+Na-2H]- | 744.49493 | 252.5 |
[M]+ | 723.51971 | 267.9 |
[M]- | 723.52081 | 267.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.