CID 131822040

Pa(20:4(8z,11z,14z,17z)/22:4(7z,10z,13z,16z))

Structural Information

Molecular Formula
C45H73O8P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O
InChI
InChI=1S/C45H73O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24-25,27-28,30,43H,3-5,7,9-10,15-16,21,23,26,29,31-42H2,1-2H3,(H2,48,49,50)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-/t43-/m1/s1
InChIKey
YDJDYUBIDLAQBZ-KYJNUJAISA-N
Compound name
[(2R)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-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

772.50433 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.51161 279.9
[M+Na]+ 795.49355 283.3
[M+NH4]+ 790.53815 283.5
[M+K]+ 811.46749 284.2
[M-H]- 771.49705 271.5
[M+Na-2H]- 793.47900 279.7
[M]+ 772.50378 279.0
[M]- 772.50488 279.0
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.