CID 52927102

Pg(22:6(4z,7z,10z,13z,16z,19z)/20:2(11z,14z))

Structural Information

Molecular Formula
C48H79O10P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C48H79O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,27,29,33,35,45-46,49-50H,3-4,6,8-10,15-16,21,23,25-26,28,30-32,34,36-44H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-,46+/m0/s1
InChIKey
GGZPAXKBGCGBSD-VTAPOZJKSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

846.5411 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.54838 293.5
[M+Na]+ 869.53032 295.9
[M+NH4]+ 864.57492 298.2
[M+K]+ 885.50426 298.1
[M-H]- 845.53382 286.4
[M+Na-2H]- 867.51577 292.7
[M]+ 846.54055 293.1
[M]- 846.54165 293.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.