CID 52926588

Pg(18:1(9z)/13:0)

Structural Information

Molecular Formula
C37H71O10P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C37H71O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h16-17,34-35,38-39H,3-15,18-33H2,1-2H3,(H,42,43)/b17-16-/t34-,35+/m0/s1
InChIKey
DQTRJEOXISEDMC-ODLGQNLUSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tridecanoyloxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

706.4785 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.48578 272.1
[M+Na]+ 729.46772 271.9
[M-H]- 705.47122 264.1
[M+NH4]+ 724.51232 277.0
[M+K]+ 745.44166 274.0
[M+H-H2O]+ 689.47576 262.2
[M+HCOO]- 751.47670 269.9
[M+CH3COO]- 765.49235 273.9
[M+Na-2H]- 727.45317 250.7
[M]+ 706.47795 270.5
[M]- 706.47905 270.5
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.