CID 53479806
Pe(20:4(8z,11z,14z,17z)/18:1(9z))
Structural Information
- Molecular Formula
- C43H76NO8P
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN
- InChI
- InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,41H,3-4,6,8-10,12,14-16,20,24-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,23-22-/t41-/m1/s1
- InChIKey
- DUDIINBNPPFXCH-YLZXUPISSA-N
- Compound name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 766.53818 | 280.3 |
[M+Na]+ | 788.52012 | 284.9 |
[M-H]- | 764.52362 | 273.2 |
[M+NH4]+ | 783.56472 | 285.9 |
[M+K]+ | 804.49406 | 285.9 |
[M+H-H2O]+ | 748.52816 | 270.1 |
[M+HCOO]- | 810.52910 | 282.4 |
[M+CH3COO]- | 824.54475 | 290.2 |
[M+Na-2H]- | 786.50557 | 259.8 |
[M]+ | 765.53035 | 276.2 |
[M]- | 765.53145 | 276.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.