CID 52927343

Pg(p-16:0/14:0)

Structural Information

Molecular Formula
C36H71O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C36H71O9P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-42-32-35(33-44-46(40,41)43-31-34(38)30-37)45-36(39)28-26-24-22-20-18-14-12-10-8-6-4-2/h27,29,34-35,37-38H,3-26,28,30-33H2,1-2H3,(H,40,41)/b29-27-/t34-,35+/m0/s1
InChIKey
YNXPCAAIVIXLOL-KWDRQGPDSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.4836 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.49088 267.0
[M+Na]+ 701.47282 266.4
[M-H]- 677.47632 256.4
[M+NH4]+ 696.51742 269.2
[M+K]+ 717.44676 268.1
[M+H-H2O]+ 661.48086 256.4
[M+HCOO]- 723.48180 266.8
[M+CH3COO]- 737.49745 270.1
[M+Na-2H]- 699.45827 245.3
[M]+ 678.48305 264.5
[M]- 678.48415 264.5
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.