CID 131822035

Pa(20:4(8z,11z,14z,17z)/20:4(8z,11z,14z,17z))

Structural Information

Molecular Formula
C43H69O8P
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,41H,3-4,9-10,15-16,21-22,27-40H2,1-2H3,(H2,46,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m1/s1
InChIKey
ZZJHFZGBYCOAKS-KAADDFAISA-N
Compound name
[(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-phosphonooxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

744.473 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.48028 272.7
[M+Na]+ 767.46222 277.3
[M-H]- 743.46572 266.0
[M+NH4]+ 762.50682 279.1
[M+K]+ 783.43616 278.2
[M+H-H2O]+ 727.47026 263.0
[M+HCOO]- 789.47120 278.4
[M+CH3COO]- 803.48685 279.6
[M+Na-2H]- 765.44767 253.4
[M]+ 744.47245 269.9
[M]- 744.47355 269.9
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.