CID 52928750

Pa(15:0/22:4(7z,10z,13z,16z))

Structural Information

Molecular Formula
C40H71O8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C40H71O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,38H,3-10,12,14-16,19,22,24,26-37H2,1-2H3,(H2,43,44,45)/b13-11-,18-17-,21-20-,25-23-/t38-/m1/s1
InChIKey
MGXAUARYKQYBLX-UXNHJCPVSA-N
Compound name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

710.48865 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.49593 271.1
[M+Na]+ 733.47787 273.1
[M+NH4]+ 728.52247 274.9
[M+K]+ 749.45181 273.7
[M-H]- 709.48137 261.2
[M+Na-2H]- 731.46332 270.9
[M]+ 710.48810 269.4
[M]- 710.48920 269.4
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.