CID 53480633

Pg(18:2(9z,12z)/18:1(11z))

Structural Information

Molecular Formula
C42H77O10P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39-40,43-44H,3-10,12,15,18,20-38H2,1-2H3,(H,47,48)/b13-11-,16-14-,19-17-/t39-,40+/m0/s1
InChIKey
ILTZKQRTHXYCKE-GZPSIAITSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

772.52545 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.53273 283.6
[M+Na]+ 795.51467 284.3
[M+NH4]+ 790.55927 288.4
[M+K]+ 811.48861 286.1
[M-H]- 771.51817 274.6
[M+Na-2H]- 793.50012 282.6
[M]+ 772.52490 282.2
[M]- 772.52600 282.2
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.