CID 52929135

Pa(20:1(11z)/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C41H71O8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C41H71O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,26,28,39H,3-5,7,9-11,13,15-16,20,22-25,27,29-38H2,1-2H3,(H2,44,45,46)/b8-6-,14-12-,19-17-,21-18-,28-26-/t39-/m1/s1
InChIKey
XYTAJFSUBTWFDN-NBYYDYQISA-N
Compound name
[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

722.48865 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.49593 272.4
[M+Na]+ 745.47787 274.8
[M+NH4]+ 740.52247 276.1
[M+K]+ 761.45181 275.4
[M-H]- 721.48137 262.9
[M+Na-2H]- 743.46332 272.3
[M]+ 722.48810 271.0
[M]- 722.48920 271.0
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.