CID 52929253

Pa(20:5(5z,8z,11z,14z,17z)/18:3(6z,9z,12z))

Structural Information

Molecular Formula
C41H65O8P
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O
InChI
InChI=1S/C41H65O8P/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/h5,7,11-14,17-19,21-23,26-29,39H,3-4,6,8-10,15-16,20,24-25,30-38H2,1-2H3,(H2,44,45,46)/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m1/s1
InChIKey
DSWRRJIGSJJDAM-UNWLPLJFSA-N
Compound name
[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

716.4417 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.44898 266.1
[M+Na]+ 739.43092 269.9
[M+NH4]+ 734.47552 269.8
[M+K]+ 755.40486 270.1
[M-H]- 715.43442 259.0
[M+Na-2H]- 737.41637 267.3
[M]+ 716.44115 265.5
[M]- 716.44225 265.5
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.