CID 162872918
[(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosa-4,7,10,13,16-pentaenoyloxypropyl] docosa-13,16-dienoate
Structural Information
- Molecular Formula
- C49H84NO8P
- SMILES
- CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC
- InChI
- InChI=1S/C49H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,36,38,47H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/t47-/m1/s1
- InChIKey
- ZDPKMNQVMQVYAG-QZNUWAOFSA-N
- Compound name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosa-4,7,10,13,16-pentaenoyloxypropyl] docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 846.60072 | 296.1 |
[M+Na]+ | 868.58266 | 301.2 |
[M+NH4]+ | 863.62726 | 300.7 |
[M+K]+ | 884.55660 | 302.6 |
[M-H]- | 844.58616 | 287.9 |
[M+Na-2H]- | 866.56811 | 295.3 |
[M]+ | 845.59289 | 295.9 |
[M]- | 845.59399 | 295.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.