CID 52929374

Pa(22:2(13z,16z)/22:0)

Structural Information

Molecular Formula
C47H89O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChI
InChI=1S/C47H89O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45H,3-10,12,14-16,18,20-44H2,1-2H3,(H2,50,51,52)/b13-11-,19-17-/t45-/m1/s1
InChIKey
DEZRWCJGSULASM-YPJAHOAKSA-N
Compound name
[(2R)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

812.6295 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 813.63678 298.3
[M+Na]+ 835.61872 298.7
[M+NH4]+ 830.66332 301.9
[M+K]+ 851.59266 300.8
[M-H]- 811.62222 284.5
[M+Na-2H]- 833.60417 294.9
[M]+ 812.62895 295.5
[M]- 812.63005 295.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.