CID 52926747

Pg(19:1(9z)/14:0)

Structural Information

Molecular Formula
C39H75O10P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C39H75O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-23-20-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,44,45)/b18-17-/t36-,37+/m0/s1
InChIKey
ZYOXAUPVEYXPCO-FMECKOKGSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

734.50977 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.51705 278.7
[M+Na]+ 757.49899 278.1
[M-H]- 733.50249 269.9
[M+NH4]+ 752.54359 283.5
[M+K]+ 773.47293 281.1
[M+H-H2O]+ 717.50703 268.6
[M+HCOO]- 779.50797 275.7
[M+CH3COO]- 793.52362 279.2
[M+Na-2H]- 755.48444 256.5
[M]+ 734.50922 277.3
[M]- 734.51032 277.3
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.