CID 52928984

Pa(18:3(6z,9z,12z)/22:1(11z))

Structural Information

Molecular Formula
C43H77O8P
SMILES
CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChI
InChI=1S/C43H77O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23,27,29,41H,3-11,13,15-17,19,22,24-26,28,30-40H2,1-2H3,(H2,46,47,48)/b14-12-,21-20-,23-18-,29-27-/t41-/m1/s1
InChIKey
VMIZRGAFAXXFLD-VVDDXGLOSA-N
Compound name
[(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

752.5356 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.54288 279.5
[M+Na]+ 775.52482 281.7
[M-H]- 751.52832 269.4
[M+NH4]+ 770.56942 284.5
[M+K]+ 791.49876 284.5
[M+H-H2O]+ 735.53286 269.6
[M+HCOO]- 797.53380 281.8
[M+CH3COO]- 811.54945 284.4
[M+Na-2H]- 773.51027 258.2
[M]+ 752.53505 277.5
[M]- 752.53615 277.5
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.