CID 52926856

Pg(20:3(8z,11z,14z)/14:0)

Structural Information

Molecular Formula
C40H73O10P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,37-38,41-42H,3-10,12,14-15,18,21-36H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-/t37-,38+/m0/s1
InChIKey
JDUWHYXMJHOKEC-WVAQXVMCSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.49414 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.50142 277.7
[M+Na]+ 767.48336 278.2
[M-H]- 743.48686 270.2
[M+NH4]+ 762.52796 283.2
[M+K]+ 783.45730 280.6
[M+H-H2O]+ 727.49140 267.6
[M+HCOO]- 789.49234 276.0
[M+CH3COO]- 803.50799 279.5
[M+Na-2H]- 765.46881 256.1
[M]+ 744.49359 276.1
[M]- 744.49469 276.1
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.