CID 52926891

Pg(20:4(5z,8z,11z,14z)/16:1(9z))

Structural Information

Molecular Formula
C42H73O10P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C42H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,39-40,43-44H,3-10,12,15,19,21,23-24,26,28-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,18-17-,22-20-,27-25-/t39-,40+/m0/s1
InChIKey
FRADPEFLQYMYIF-ZVBUBADISA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

768.49414 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.50142 279.4
[M+Na]+ 791.48336 281.1
[M+NH4]+ 786.52796 284.3
[M+K]+ 807.45730 282.6
[M-H]- 767.48686 272.0
[M+Na-2H]- 789.46881 279.3
[M]+ 768.49359 278.6
[M]- 768.49469 278.6
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.