CID 52926425

Pg(15:0/22:6(4z,7z,10z,13z,16z,19z))

Structural Information

Molecular Formula
C43H73O10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-43(47)53-41(39-52-54(48,49)51-37-40(45)36-44)38-50-42(46)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40-41,44-45H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39H2,1-2H3,(H,48,49)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t40-,41+/m0/s1
InChIKey
CTRNSVCYDUIICT-FFLBNGNKSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

780.49414 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.50142 281.6
[M+Na]+ 803.48336 283.4
[M-H]- 779.48686 275.5
[M+NH4]+ 798.52796 288.0
[M+K]+ 819.45730 285.6
[M+H-H2O]+ 763.49140 271.4
[M+HCOO]- 825.49234 281.3
[M+CH3COO]- 839.50799 284.0
[M+Na-2H]- 801.46881 260.3
[M]+ 780.49359 279.7
[M]- 780.49469 279.7
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

patents stripe