CID 52926456

Pg(15:1(9z)/22:6(4z,7z,10z,13z,16z,19z))

Structural Information

Molecular Formula
C43H71O10P
SMILES
CCCCC/C=C\CCCCCCCC(=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/C43H71O10P/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/h5,7,11-14,17-18,20-21,23,25,29,31,40-41,44-45H,3-4,6,8-10,15-16,19,22,24,26-28,30,32-39H2,1-2H3,(H,48,49)/b7-5-,13-11-,14-12-,18-17-,21-20-,25-23-,31-29-/t40-,41+/m0/s1
InChIKey
DFJNUNZGRMLCHD-ASEJQJEFSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropan-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

1
Patents

778.4785 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.48578 279.9
[M+Na]+ 801.46772 282.3
[M-H]- 777.47122 274.6
[M+NH4]+ 796.51232 286.6
[M+K]+ 817.44166 284.0
[M+H-H2O]+ 761.47576 269.7
[M+HCOO]- 823.47670 280.4
[M+CH3COO]- 837.49235 282.8
[M+Na-2H]- 799.45317 259.1
[M]+ 778.47795 277.8
[M]- 778.47905 277.8
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.